USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 676 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 GLN : amide:sc= -0.46 K(o=-0.48,f=-1.7) USER MOD Set 1.2: B 61 TYR OH : rot -15:sc= -0.0206 USER MOD Set 2.1: A 61 TYR OH : rot -30:sc= -0.411 USER MOD Set 2.2: B 66 GLN : amide:sc= -0.185 K(o=-0.6,f=-3.2!) USER MOD Set 3.1: A 33 TYR OH : rot -60:sc= 0.731 USER MOD Set 3.2: B 29 MET CE :methyl 153:sc= -0.249 (180deg=-1.02) USER MOD Set 3.3: B 33 TYR OH : rot 78:sc= 0.918 USER MOD Single : A 29 MET CE :methyl -166:sc= -0.183 (180deg=-0.58) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 32 CYS SG : rot 69:sc= 1.15 USER MOD Single : A 34 SER OG : rot 65:sc= 0.102 USER MOD Single : A 47 THR OG1 : rot -130:sc= -0.678 USER MOD Single : A 48 GLN : amide:sc= -0.494 X(o=-0.49,f=-0.23) USER MOD Single : A 50 SER OG : rot 180:sc=-0.00544 USER MOD Single : A 51 GLN : amide:sc= -0.272 X(o=-0.27,f=0) USER MOD Single : A 56 GLN : amide:sc= -1.62! K(o=-1.6!,f=-0.14) USER MOD Single : B 30 ASN : amide:sc= 0.175 X(o=0.17,f=-0.26) USER MOD Single : B 31 HIS : no HD1:sc= -0.278 X(o=-0.28,f=0.036) USER MOD Single : B 32 CYS SG : rot 80:sc= 0.0442 USER MOD Single : B 34 SER OG : rot 63:sc= 0.647 USER MOD Single : B 47 THR OG1 : rot -17:sc= 0.0507 USER MOD Single : B 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 50 SER OG : rot 180:sc= -0.139 USER MOD Single : B 51 GLN : amide:sc=-0.00135 X(o=-0.0013,f=0) USER MOD Single : B 56 GLN : amide:sc= -2.43! K(o=-2.4!,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 371 N ASP A 27 9.937 13.696 3.750 1.00 12.40 N ATOM 372 CA ASP A 27 8.648 12.978 3.899 1.00 11.10 C ATOM 373 C ASP A 27 8.846 11.441 3.987 1.00 35.30 C ATOM 374 O ASP A 27 9.206 10.788 2.999 1.00 51.10 O ATOM 375 CB ASP A 27 7.650 13.348 2.771 1.00 60.12 C ATOM 376 CG ASP A 27 7.401 14.862 2.666 1.00 74.00 C ATOM 377 OD1 ASP A 27 6.693 15.416 3.537 1.00 25.21 O ATOM 378 OD2 ASP A 27 7.937 15.506 1.734 1.00 12.03 O ATOM 0 HA ASP A 27 8.215 13.306 4.844 1.00 11.10 H new ATOM 0 HB2 ASP A 27 8.033 12.981 1.819 1.00 60.12 H new ATOM 0 HB3 ASP A 27 6.702 12.840 2.950 1.00 60.12 H new ATOM 383 N ASP A 28 8.598 10.879 5.186 1.00 74.45 N ATOM 384 CA ASP A 28 8.715 9.420 5.455 1.00 1.34 C ATOM 385 C ASP A 28 7.779 8.610 4.518 1.00 3.43 C ATOM 386 O ASP A 28 8.137 7.536 4.028 1.00 63.51 O ATOM 387 CB ASP A 28 8.352 9.119 6.936 1.00 11.21 C ATOM 388 CG ASP A 28 9.012 10.083 7.931 1.00 33.41 C ATOM 389 OD1 ASP A 28 10.160 9.835 8.350 1.00 50.23 O ATOM 390 OD2 ASP A 28 8.391 11.119 8.267 1.00 3.23 O ATOM 0 H ASP A 28 8.310 11.420 6.002 1.00 74.45 H new ATOM 0 HA ASP A 28 9.746 9.121 5.265 1.00 1.34 H new ATOM 0 HB2 ASP A 28 7.270 9.170 7.055 1.00 11.21 H new ATOM 0 HB3 ASP A 28 8.652 8.099 7.176 1.00 11.21 H new ATOM 395 N MET A 29 6.578 9.177 4.282 1.00 32.24 N ATOM 396 CA MET A 29 5.548 8.577 3.408 1.00 72.44 C ATOM 397 C MET A 29 5.982 8.558 1.925 1.00 22.44 C ATOM 398 O MET A 29 5.679 7.610 1.210 1.00 13.14 O ATOM 399 CB MET A 29 4.200 9.315 3.577 1.00 33.21 C ATOM 400 CG MET A 29 4.142 10.776 3.110 1.00 2.24 C ATOM 401 SD MET A 29 2.627 11.610 3.657 1.00 3.51 S ATOM 402 CE MET A 29 1.382 10.332 3.416 1.00 4.23 C ATOM 0 H MET A 29 6.294 10.066 4.693 1.00 32.24 H new ATOM 0 HA MET A 29 5.422 7.539 3.717 1.00 72.44 H new ATOM 0 HB2 MET A 29 3.437 8.756 3.035 1.00 33.21 H new ATOM 0 HB3 MET A 29 3.928 9.286 4.632 1.00 33.21 H new ATOM 0 HG2 MET A 29 5.009 11.313 3.494 1.00 2.24 H new ATOM 0 HG3 MET A 29 4.201 10.811 2.022 1.00 2.24 H new ATOM 0 HE1 MET A 29 0.388 10.777 3.472 1.00 4.23 H new ATOM 0 HE2 MET A 29 1.519 9.871 2.438 1.00 4.23 H new ATOM 0 HE3 MET A 29 1.484 9.574 4.192 1.00 4.23 H new ATOM 412 N ASN A 30 6.717 9.606 1.496 1.00 44.01 N ATOM 413 CA ASN A 30 7.243 9.733 0.116 1.00 74.03 C ATOM 414 C ASN A 30 8.353 8.680 -0.144 1.00 12.10 C ATOM 415 O ASN A 30 8.441 8.111 -1.238 1.00 24.23 O ATOM 416 CB ASN A 30 7.780 11.174 -0.104 1.00 52.44 C ATOM 417 CG ASN A 30 8.302 11.454 -1.520 1.00 72.24 C ATOM 418 OD1 ASN A 30 7.809 10.913 -2.507 1.00 1.12 O ATOM 419 ND2 ASN A 30 9.299 12.311 -1.628 1.00 62.34 N ATOM 0 H ASN A 30 6.964 10.392 2.098 1.00 44.01 H new ATOM 0 HA ASN A 30 6.437 9.546 -0.594 1.00 74.03 H new ATOM 0 HB2 ASN A 30 6.983 11.883 0.122 1.00 52.44 H new ATOM 0 HB3 ASN A 30 8.584 11.361 0.608 1.00 52.44 H new ATOM 0 HD21 ASN A 30 9.679 12.538 -2.547 1.00 62.34 H new ATOM 0 HD22 ASN A 30 9.690 12.746 -0.793 1.00 62.34 H new ATOM 426 N HIS A 31 9.185 8.437 0.888 1.00 31.53 N ATOM 427 CA HIS A 31 10.187 7.343 0.881 1.00 53.23 C ATOM 428 C HIS A 31 9.490 5.959 0.773 1.00 3.23 C ATOM 429 O HIS A 31 9.947 5.075 0.032 1.00 72.11 O ATOM 430 CB HIS A 31 11.062 7.414 2.161 1.00 4.22 C ATOM 431 CG HIS A 31 12.170 6.383 2.200 1.00 63.50 C ATOM 432 ND1 HIS A 31 12.020 5.182 2.855 1.00 61.31 N ATOM 433 CD2 HIS A 31 13.397 6.415 1.625 1.00 43.32 C ATOM 434 CE1 HIS A 31 13.147 4.519 2.662 1.00 41.33 C ATOM 435 NE2 HIS A 31 14.011 5.226 1.925 1.00 24.31 N ATOM 0 H HIS A 31 9.185 8.988 1.747 1.00 31.53 H new ATOM 0 HA HIS A 31 10.830 7.467 0.009 1.00 53.23 H new ATOM 0 HB2 HIS A 31 11.501 8.409 2.235 1.00 4.22 H new ATOM 0 HB3 HIS A 31 10.424 7.281 3.034 1.00 4.22 H new ATOM 0 HD2 HIS A 31 13.812 7.223 1.041 1.00 43.32 H new ATOM 0 HE1 HIS A 31 13.345 3.531 3.050 1.00 41.33 H new ATOM 0 HE2 HIS A 31 14.947 4.936 1.641 1.00 24.31 H new ATOM 443 N CYS A 32 8.375 5.802 1.518 1.00 72.14 N ATOM 444 CA CYS A 32 7.521 4.591 1.462 1.00 23.43 C ATOM 445 C CYS A 32 6.904 4.400 0.052 1.00 42.13 C ATOM 446 O CYS A 32 6.836 3.280 -0.435 1.00 20.15 O ATOM 447 CB CYS A 32 6.405 4.654 2.534 1.00 45.05 C ATOM 448 SG CYS A 32 7.017 4.718 4.237 1.00 25.34 S ATOM 0 H CYS A 32 8.040 6.508 2.174 1.00 72.14 H new ATOM 0 HA CYS A 32 8.157 3.731 1.672 1.00 23.43 H new ATOM 0 HB2 CYS A 32 5.787 5.533 2.348 1.00 45.05 H new ATOM 0 HB3 CYS A 32 5.761 3.782 2.424 1.00 45.05 H new ATOM 0 HG CYS A 32 7.599 5.861 4.446 1.00 25.34 H new ATOM 454 N TYR A 33 6.492 5.515 -0.594 1.00 34.10 N ATOM 455 CA TYR A 33 5.905 5.514 -1.964 1.00 31.10 C ATOM 456 C TYR A 33 6.913 5.064 -3.042 1.00 12.52 C ATOM 457 O TYR A 33 6.537 4.414 -4.030 1.00 35.33 O ATOM 458 CB TYR A 33 5.332 6.919 -2.314 1.00 21.45 C ATOM 459 CG TYR A 33 3.941 7.193 -1.730 1.00 53.23 C ATOM 460 CD1 TYR A 33 2.897 6.312 -1.989 1.00 75.24 C ATOM 461 CD2 TYR A 33 3.657 8.323 -0.962 1.00 44.52 C ATOM 462 CE1 TYR A 33 1.636 6.535 -1.513 1.00 70.03 C ATOM 463 CE2 TYR A 33 2.388 8.552 -0.470 1.00 34.10 C ATOM 464 CZ TYR A 33 1.380 7.657 -0.753 1.00 54.14 C ATOM 465 OH TYR A 33 0.113 7.884 -0.278 1.00 45.21 O ATOM 0 H TYR A 33 6.555 6.446 -0.183 1.00 34.10 H new ATOM 0 HA TYR A 33 5.095 4.785 -1.959 1.00 31.10 H new ATOM 0 HB2 TYR A 33 6.022 7.681 -1.952 1.00 21.45 H new ATOM 0 HB3 TYR A 33 5.285 7.020 -3.398 1.00 21.45 H new ATOM 0 HD1 TYR A 33 3.088 5.429 -2.581 1.00 75.24 H new ATOM 0 HD2 TYR A 33 4.444 9.031 -0.749 1.00 44.52 H new ATOM 0 HE1 TYR A 33 0.843 5.835 -1.731 1.00 70.03 H new ATOM 0 HE2 TYR A 33 2.187 9.426 0.132 1.00 34.10 H new ATOM 0 HH TYR A 33 -0.510 7.960 -1.031 1.00 45.21 H new ATOM 475 N SER A 34 8.189 5.436 -2.845 1.00 4.54 N ATOM 476 CA SER A 34 9.305 4.963 -3.691 1.00 31.24 C ATOM 477 C SER A 34 9.441 3.427 -3.594 1.00 12.20 C ATOM 478 O SER A 34 9.590 2.738 -4.609 1.00 44.45 O ATOM 479 CB SER A 34 10.631 5.652 -3.271 1.00 10.33 C ATOM 480 OG SER A 34 10.551 7.068 -3.409 1.00 14.34 O ATOM 0 H SER A 34 8.478 6.070 -2.100 1.00 4.54 H new ATOM 0 HA SER A 34 9.091 5.226 -4.727 1.00 31.24 H new ATOM 0 HB2 SER A 34 10.862 5.399 -2.236 1.00 10.33 H new ATOM 0 HB3 SER A 34 11.449 5.272 -3.882 1.00 10.33 H new ATOM 0 HG SER A 34 9.887 7.421 -2.781 1.00 14.34 H new ATOM 486 N ARG A 35 9.344 2.907 -2.351 1.00 11.34 N ATOM 487 CA ARG A 35 9.495 1.465 -2.058 1.00 13.22 C ATOM 488 C ARG A 35 8.242 0.645 -2.479 1.00 61.30 C ATOM 489 O ARG A 35 8.374 -0.519 -2.850 1.00 21.11 O ATOM 490 CB ARG A 35 9.837 1.250 -0.537 1.00 22.04 C ATOM 491 CG ARG A 35 10.983 0.246 -0.276 1.00 44.52 C ATOM 492 CD ARG A 35 10.664 -1.193 -0.704 1.00 61.21 C ATOM 493 NE ARG A 35 11.822 -2.085 -0.554 1.00 2.14 N ATOM 494 CZ ARG A 35 12.276 -2.920 -1.461 1.00 34.23 C ATOM 495 NH1 ARG A 35 11.700 -3.033 -2.614 1.00 43.50 N ATOM 496 NH2 ARG A 35 13.304 -3.649 -1.197 1.00 61.24 N ATOM 0 H ARG A 35 9.159 3.474 -1.524 1.00 11.34 H new ATOM 0 HA ARG A 35 10.325 1.091 -2.657 1.00 13.22 H new ATOM 0 HB2 ARG A 35 10.105 2.211 -0.098 1.00 22.04 H new ATOM 0 HB3 ARG A 35 8.942 0.903 -0.021 1.00 22.04 H new ATOM 0 HG2 ARG A 35 11.874 0.582 -0.806 1.00 44.52 H new ATOM 0 HG3 ARG A 35 11.223 0.253 0.787 1.00 44.52 H new ATOM 0 HD2 ARG A 35 9.835 -1.573 -0.107 1.00 61.21 H new ATOM 0 HD3 ARG A 35 10.336 -1.197 -1.744 1.00 61.21 H new ATOM 0 HE ARG A 35 12.319 -2.053 0.336 1.00 2.14 H new ATOM 0 HH11 ARG A 35 10.879 -2.468 -2.831 1.00 43.50 H new ATOM 0 HH12 ARG A 35 12.067 -3.687 -3.306 1.00 43.50 H new ATOM 0 HH21 ARG A 35 13.761 -3.576 -0.288 1.00 61.24 H new ATOM 0 HH22 ARG A 35 13.661 -4.299 -1.897 1.00 61.24 H new ATOM 510 N LEU A 36 7.037 1.250 -2.415 1.00 70.31 N ATOM 511 CA LEU A 36 5.784 0.586 -2.860 1.00 44.45 C ATOM 512 C LEU A 36 5.859 0.260 -4.366 1.00 53.33 C ATOM 513 O LEU A 36 5.567 -0.854 -4.779 1.00 20.22 O ATOM 514 CB LEU A 36 4.529 1.453 -2.550 1.00 12.35 C ATOM 515 CG LEU A 36 4.164 1.634 -1.038 1.00 70.41 C ATOM 516 CD1 LEU A 36 2.954 2.583 -0.860 1.00 50.21 C ATOM 517 CD2 LEU A 36 3.918 0.267 -0.347 1.00 1.22 C ATOM 0 H LEU A 36 6.901 2.197 -2.060 1.00 70.31 H new ATOM 0 HA LEU A 36 5.684 -0.344 -2.300 1.00 44.45 H new ATOM 0 HB2 LEU A 36 4.680 2.441 -2.986 1.00 12.35 H new ATOM 0 HB3 LEU A 36 3.673 1.008 -3.057 1.00 12.35 H new ATOM 0 HG LEU A 36 5.020 2.098 -0.548 1.00 70.41 H new ATOM 0 HD11 LEU A 36 2.726 2.687 0.201 1.00 50.21 H new ATOM 0 HD12 LEU A 36 3.194 3.561 -1.278 1.00 50.21 H new ATOM 0 HD13 LEU A 36 2.088 2.170 -1.378 1.00 50.21 H new ATOM 0 HD21 LEU A 36 3.667 0.429 0.701 1.00 1.22 H new ATOM 0 HD22 LEU A 36 3.095 -0.248 -0.842 1.00 1.22 H new ATOM 0 HD23 LEU A 36 4.819 -0.342 -0.414 1.00 1.22 H new ATOM 529 N ARG A 37 6.329 1.240 -5.159 1.00 13.10 N ATOM 530 CA ARG A 37 6.578 1.067 -6.615 1.00 40.34 C ATOM 531 C ARG A 37 7.628 -0.036 -6.934 1.00 73.44 C ATOM 532 O ARG A 37 7.677 -0.537 -8.062 1.00 10.25 O ATOM 533 CB ARG A 37 7.006 2.414 -7.241 1.00 72.30 C ATOM 534 CG ARG A 37 5.854 3.426 -7.398 1.00 64.31 C ATOM 535 CD ARG A 37 6.312 4.761 -8.005 1.00 74.23 C ATOM 536 NE ARG A 37 7.147 5.543 -7.064 1.00 3.52 N ATOM 537 CZ ARG A 37 8.277 6.153 -7.360 1.00 2.01 C ATOM 538 NH1 ARG A 37 8.846 6.012 -8.514 1.00 21.30 N ATOM 539 NH2 ARG A 37 8.848 6.896 -6.479 1.00 31.13 N ATOM 0 H ARG A 37 6.549 2.175 -4.816 1.00 13.10 H new ATOM 0 HA ARG A 37 5.639 0.733 -7.057 1.00 40.34 H new ATOM 0 HB2 ARG A 37 7.785 2.859 -6.622 1.00 72.30 H new ATOM 0 HB3 ARG A 37 7.446 2.225 -8.220 1.00 72.30 H new ATOM 0 HG2 ARG A 37 5.079 2.992 -8.030 1.00 64.31 H new ATOM 0 HG3 ARG A 37 5.404 3.611 -6.423 1.00 64.31 H new ATOM 0 HD2 ARG A 37 6.877 4.569 -8.917 1.00 74.23 H new ATOM 0 HD3 ARG A 37 5.439 5.349 -8.289 1.00 74.23 H new ATOM 0 HE ARG A 37 6.818 5.616 -6.101 1.00 3.52 H new ATOM 0 HH11 ARG A 37 8.420 5.416 -9.223 1.00 21.30 H new ATOM 0 HH12 ARG A 37 9.721 6.497 -8.714 1.00 21.30 H new ATOM 0 HH21 ARG A 37 8.426 7.010 -5.557 1.00 31.13 H new ATOM 0 HH22 ARG A 37 9.723 7.371 -6.702 1.00 31.13 H new ATOM 553 N GLU A 38 8.459 -0.402 -5.933 1.00 24.21 N ATOM 554 CA GLU A 38 9.469 -1.479 -6.070 1.00 41.33 C ATOM 555 C GLU A 38 8.840 -2.856 -5.732 1.00 65.10 C ATOM 556 O GLU A 38 9.121 -3.862 -6.394 1.00 13.35 O ATOM 557 CB GLU A 38 10.682 -1.209 -5.135 1.00 50.40 C ATOM 558 CG GLU A 38 11.446 0.103 -5.402 1.00 14.41 C ATOM 559 CD GLU A 38 12.104 0.159 -6.791 1.00 61.43 C ATOM 560 OE1 GLU A 38 13.172 -0.463 -6.980 1.00 24.34 O ATOM 561 OE2 GLU A 38 11.559 0.816 -7.702 1.00 60.14 O ATOM 0 H GLU A 38 8.450 0.037 -5.012 1.00 24.21 H new ATOM 0 HA GLU A 38 9.817 -1.493 -7.103 1.00 41.33 H new ATOM 0 HB2 GLU A 38 10.329 -1.200 -4.104 1.00 50.40 H new ATOM 0 HB3 GLU A 38 11.381 -2.041 -5.225 1.00 50.40 H new ATOM 0 HG2 GLU A 38 10.757 0.942 -5.301 1.00 14.41 H new ATOM 0 HG3 GLU A 38 12.215 0.228 -4.639 1.00 14.41 H new ATOM 568 N LEU A 39 7.977 -2.866 -4.696 1.00 24.11 N ATOM 569 CA LEU A 39 7.297 -4.090 -4.200 1.00 4.04 C ATOM 570 C LEU A 39 6.191 -4.571 -5.171 1.00 64.32 C ATOM 571 O LEU A 39 5.842 -5.756 -5.188 1.00 33.42 O ATOM 572 CB LEU A 39 6.692 -3.816 -2.795 1.00 63.31 C ATOM 573 CG LEU A 39 7.720 -3.507 -1.656 1.00 52.53 C ATOM 574 CD1 LEU A 39 7.007 -3.082 -0.349 1.00 12.42 C ATOM 575 CD2 LEU A 39 8.674 -4.707 -1.413 1.00 72.23 C ATOM 0 H LEU A 39 7.728 -2.025 -4.175 1.00 24.11 H new ATOM 0 HA LEU A 39 8.041 -4.884 -4.134 1.00 4.04 H new ATOM 0 HB2 LEU A 39 6.004 -2.974 -2.875 1.00 63.31 H new ATOM 0 HB3 LEU A 39 6.102 -4.683 -2.500 1.00 63.31 H new ATOM 0 HG LEU A 39 8.328 -2.665 -1.986 1.00 52.53 H new ATOM 0 HD11 LEU A 39 7.751 -2.875 0.420 1.00 12.42 H new ATOM 0 HD12 LEU A 39 6.415 -2.185 -0.532 1.00 12.42 H new ATOM 0 HD13 LEU A 39 6.352 -3.886 -0.014 1.00 12.42 H new ATOM 0 HD21 LEU A 39 9.375 -4.459 -0.616 1.00 72.23 H new ATOM 0 HD22 LEU A 39 8.092 -5.582 -1.125 1.00 72.23 H new ATOM 0 HD23 LEU A 39 9.226 -4.924 -2.327 1.00 72.23 H new ATOM 587 N VAL A 40 5.642 -3.625 -5.956 1.00 65.43 N ATOM 588 CA VAL A 40 4.603 -3.902 -6.970 1.00 40.41 C ATOM 589 C VAL A 40 5.252 -4.121 -8.371 1.00 45.40 C ATOM 590 O VAL A 40 5.753 -3.163 -8.969 1.00 73.13 O ATOM 591 CB VAL A 40 3.557 -2.717 -7.047 1.00 75.12 C ATOM 592 CG1 VAL A 40 2.406 -3.032 -8.035 1.00 62.53 C ATOM 593 CG2 VAL A 40 3.015 -2.369 -5.640 1.00 65.24 C ATOM 0 H VAL A 40 5.907 -2.641 -5.906 1.00 65.43 H new ATOM 0 HA VAL A 40 4.080 -4.811 -6.672 1.00 40.41 H new ATOM 0 HB VAL A 40 4.078 -1.841 -7.433 1.00 75.12 H new ATOM 0 HG11 VAL A 40 1.709 -2.195 -8.060 1.00 62.53 H new ATOM 0 HG12 VAL A 40 2.816 -3.193 -9.032 1.00 62.53 H new ATOM 0 HG13 VAL A 40 1.882 -3.931 -7.709 1.00 62.53 H new ATOM 0 HG21 VAL A 40 2.298 -1.552 -5.718 1.00 65.24 H new ATOM 0 HG22 VAL A 40 2.524 -3.243 -5.213 1.00 65.24 H new ATOM 0 HG23 VAL A 40 3.841 -2.066 -4.996 1.00 65.24 H new ATOM 603 N PRO A 41 5.271 -5.388 -8.913 1.00 45.51 N ATOM 604 CA PRO A 41 5.797 -5.667 -10.279 1.00 33.01 C ATOM 605 C PRO A 41 4.797 -5.277 -11.409 1.00 14.21 C ATOM 606 O PRO A 41 5.158 -5.272 -12.591 1.00 61.40 O ATOM 607 CB PRO A 41 6.050 -7.192 -10.235 1.00 10.53 C ATOM 608 CG PRO A 41 5.000 -7.717 -9.300 1.00 11.43 C ATOM 609 CD PRO A 41 4.807 -6.640 -8.247 1.00 25.13 C ATOM 0 HA PRO A 41 6.685 -5.081 -10.514 1.00 33.01 H new ATOM 0 HB2 PRO A 41 5.960 -7.639 -11.225 1.00 10.53 H new ATOM 0 HB3 PRO A 41 7.053 -7.418 -9.874 1.00 10.53 H new ATOM 0 HG2 PRO A 41 4.069 -7.917 -9.830 1.00 11.43 H new ATOM 0 HG3 PRO A 41 5.316 -8.656 -8.845 1.00 11.43 H new ATOM 0 HD2 PRO A 41 3.764 -6.565 -7.941 1.00 25.13 H new ATOM 0 HD3 PRO A 41 5.388 -6.852 -7.349 1.00 25.13 H new ATOM 617 N GLY A 42 3.547 -4.934 -11.020 1.00 53.24 N ATOM 618 CA GLY A 42 2.505 -4.495 -11.967 1.00 22.15 C ATOM 619 C GLY A 42 2.589 -3.013 -12.365 1.00 33.22 C ATOM 620 O GLY A 42 1.674 -2.504 -13.012 1.00 74.30 O ATOM 0 H GLY A 42 3.238 -4.955 -10.048 1.00 53.24 H new ATOM 0 HA2 GLY A 42 2.571 -5.104 -12.868 1.00 22.15 H new ATOM 0 HA3 GLY A 42 1.527 -4.685 -11.525 1.00 22.15 H new ATOM 624 N VAL A 43 3.683 -2.323 -11.977 1.00 0.44 N ATOM 625 CA VAL A 43 3.953 -0.927 -12.407 1.00 44.41 C ATOM 626 C VAL A 43 4.332 -0.875 -13.926 1.00 25.24 C ATOM 627 O VAL A 43 5.307 -1.522 -14.336 1.00 53.24 O ATOM 628 CB VAL A 43 5.095 -0.264 -11.541 1.00 74.23 C ATOM 629 CG1 VAL A 43 5.439 1.166 -12.034 1.00 43.45 C ATOM 630 CG2 VAL A 43 4.710 -0.254 -10.039 1.00 14.04 C ATOM 0 H VAL A 43 4.400 -2.710 -11.363 1.00 0.44 H new ATOM 0 HA VAL A 43 3.036 -0.358 -12.253 1.00 44.41 H new ATOM 0 HB VAL A 43 5.991 -0.872 -11.663 1.00 74.23 H new ATOM 0 HG11 VAL A 43 6.229 1.585 -11.411 1.00 43.45 H new ATOM 0 HG12 VAL A 43 5.778 1.122 -13.069 1.00 43.45 H new ATOM 0 HG13 VAL A 43 4.552 1.796 -11.969 1.00 43.45 H new ATOM 0 HG21 VAL A 43 5.511 0.207 -9.461 1.00 14.04 H new ATOM 0 HG22 VAL A 43 3.790 0.315 -9.903 1.00 14.04 H new ATOM 0 HG23 VAL A 43 4.558 -1.277 -9.696 1.00 14.04 H new ATOM 640 N PRO A 44 3.558 -0.122 -14.788 1.00 73.03 N ATOM 641 CA PRO A 44 3.860 -0.001 -16.246 1.00 54.44 C ATOM 642 C PRO A 44 5.208 0.733 -16.520 1.00 42.32 C ATOM 643 O PRO A 44 5.567 1.673 -15.796 1.00 71.45 O ATOM 644 CB PRO A 44 2.642 0.795 -16.812 1.00 35.12 C ATOM 645 CG PRO A 44 1.586 0.720 -15.742 1.00 44.05 C ATOM 646 CD PRO A 44 2.339 0.650 -14.431 1.00 54.24 C ATOM 0 HA PRO A 44 3.987 -0.974 -16.720 1.00 54.44 H new ATOM 0 HB2 PRO A 44 2.913 1.829 -17.025 1.00 35.12 H new ATOM 0 HB3 PRO A 44 2.287 0.359 -17.746 1.00 35.12 H new ATOM 0 HG2 PRO A 44 0.934 1.593 -15.773 1.00 44.05 H new ATOM 0 HG3 PRO A 44 0.952 -0.157 -15.877 1.00 44.05 H new ATOM 0 HD2 PRO A 44 2.586 1.642 -14.053 1.00 54.24 H new ATOM 0 HD3 PRO A 44 1.757 0.150 -13.657 1.00 54.24 H new ATOM 654 N ARG A 45 5.930 0.293 -17.576 1.00 70.04 N ATOM 655 CA ARG A 45 7.268 0.831 -17.933 1.00 0.20 C ATOM 656 C ARG A 45 7.177 2.289 -18.446 1.00 54.22 C ATOM 657 O ARG A 45 6.362 2.591 -19.325 1.00 10.12 O ATOM 658 CB ARG A 45 7.941 -0.066 -19.014 1.00 5.30 C ATOM 659 CG ARG A 45 8.069 -1.559 -18.643 1.00 21.03 C ATOM 660 CD ARG A 45 8.866 -1.798 -17.347 1.00 31.43 C ATOM 661 NE ARG A 45 9.042 -3.235 -17.077 1.00 20.25 N ATOM 662 CZ ARG A 45 9.449 -3.758 -15.943 1.00 14.22 C ATOM 663 NH1 ARG A 45 9.653 -3.023 -14.892 1.00 23.50 N ATOM 664 NH2 ARG A 45 9.623 -5.030 -15.854 1.00 44.25 N ATOM 0 H ARG A 45 5.605 -0.442 -18.204 1.00 70.04 H new ATOM 0 HA ARG A 45 7.876 0.827 -17.028 1.00 0.20 H new ATOM 0 HB2 ARG A 45 7.368 0.014 -19.938 1.00 5.30 H new ATOM 0 HB3 ARG A 45 8.936 0.327 -19.221 1.00 5.30 H new ATOM 0 HG2 ARG A 45 7.072 -1.986 -18.532 1.00 21.03 H new ATOM 0 HG3 ARG A 45 8.554 -2.090 -19.463 1.00 21.03 H new ATOM 0 HD2 ARG A 45 9.842 -1.320 -17.426 1.00 31.43 H new ATOM 0 HD3 ARG A 45 8.349 -1.330 -16.509 1.00 31.43 H new ATOM 0 HE ARG A 45 8.829 -3.881 -17.837 1.00 20.25 H new ATOM 0 HH11 ARG A 45 9.497 -2.016 -14.936 1.00 23.50 H new ATOM 0 HH12 ARG A 45 9.969 -3.453 -14.023 1.00 23.50 H new ATOM 0 HH21 ARG A 45 9.445 -5.627 -16.662 1.00 44.25 H new ATOM 0 HH22 ARG A 45 9.939 -5.441 -14.976 1.00 44.25 H new ATOM 678 N GLY A 46 8.020 3.173 -17.880 1.00 35.20 N ATOM 679 CA GLY A 46 8.047 4.595 -18.254 1.00 33.34 C ATOM 680 C GLY A 46 6.770 5.348 -17.875 1.00 40.44 C ATOM 681 O GLY A 46 6.280 6.179 -18.646 1.00 62.24 O ATOM 0 H GLY A 46 8.695 2.922 -17.157 1.00 35.20 H new ATOM 0 HA2 GLY A 46 8.899 5.074 -17.771 1.00 33.34 H new ATOM 0 HA3 GLY A 46 8.203 4.677 -19.330 1.00 33.34 H new ATOM 685 N THR A 47 6.229 5.051 -16.679 1.00 2.52 N ATOM 686 CA THR A 47 4.957 5.639 -16.187 1.00 65.41 C ATOM 687 C THR A 47 5.140 6.224 -14.769 1.00 13.22 C ATOM 688 O THR A 47 5.351 5.477 -13.805 1.00 11.45 O ATOM 689 CB THR A 47 3.816 4.561 -16.171 1.00 73.14 C ATOM 690 OG1 THR A 47 3.733 3.927 -17.455 1.00 14.13 O ATOM 691 CG2 THR A 47 2.442 5.164 -15.811 1.00 5.11 C ATOM 0 H THR A 47 6.657 4.398 -16.023 1.00 2.52 H new ATOM 0 HA THR A 47 4.674 6.442 -16.868 1.00 65.41 H new ATOM 0 HB THR A 47 4.070 3.833 -15.401 1.00 73.14 H new ATOM 0 HG1 THR A 47 2.802 3.931 -17.762 1.00 14.13 H new ATOM 0 HG21 THR A 47 1.687 4.377 -15.814 1.00 5.11 H new ATOM 0 HG22 THR A 47 2.491 5.616 -14.820 1.00 5.11 H new ATOM 0 HG23 THR A 47 2.175 5.925 -16.544 1.00 5.11 H new ATOM 699 N GLN A 48 5.062 7.563 -14.657 1.00 53.21 N ATOM 700 CA GLN A 48 5.158 8.275 -13.365 1.00 24.34 C ATOM 701 C GLN A 48 3.812 8.172 -12.606 1.00 5.11 C ATOM 702 O GLN A 48 2.869 8.925 -12.882 1.00 64.13 O ATOM 703 CB GLN A 48 5.567 9.770 -13.568 1.00 41.45 C ATOM 704 CG GLN A 48 7.011 10.008 -14.092 1.00 65.31 C ATOM 705 CD GLN A 48 7.230 9.607 -15.559 1.00 41.40 C ATOM 706 OE1 GLN A 48 7.045 10.407 -16.469 1.00 42.33 O ATOM 707 NE2 GLN A 48 7.637 8.376 -15.799 1.00 71.44 N ATOM 0 H GLN A 48 4.931 8.182 -15.457 1.00 53.21 H new ATOM 0 HA GLN A 48 5.938 7.801 -12.769 1.00 24.34 H new ATOM 0 HB2 GLN A 48 4.867 10.228 -14.267 1.00 41.45 H new ATOM 0 HB3 GLN A 48 5.455 10.291 -12.617 1.00 41.45 H new ATOM 0 HG2 GLN A 48 7.257 11.064 -13.976 1.00 65.31 H new ATOM 0 HG3 GLN A 48 7.708 9.448 -13.468 1.00 65.31 H new ATOM 0 HE21 GLN A 48 7.784 7.728 -15.025 1.00 71.44 H new ATOM 0 HE22 GLN A 48 7.805 8.072 -16.758 1.00 71.44 H new ATOM 716 N LEU A 49 3.722 7.184 -11.700 1.00 45.10 N ATOM 717 CA LEU A 49 2.551 7.003 -10.824 1.00 52.13 C ATOM 718 C LEU A 49 2.584 8.033 -9.670 1.00 52.23 C ATOM 719 O LEU A 49 3.488 7.996 -8.826 1.00 32.02 O ATOM 720 CB LEU A 49 2.508 5.552 -10.253 1.00 22.33 C ATOM 721 CG LEU A 49 2.415 4.395 -11.301 1.00 4.14 C ATOM 722 CD1 LEU A 49 2.430 3.011 -10.609 1.00 60.23 C ATOM 723 CD2 LEU A 49 1.167 4.551 -12.210 1.00 5.41 C ATOM 0 H LEU A 49 4.456 6.491 -11.554 1.00 45.10 H new ATOM 0 HA LEU A 49 1.650 7.165 -11.415 1.00 52.13 H new ATOM 0 HB2 LEU A 49 3.402 5.396 -9.650 1.00 22.33 H new ATOM 0 HB3 LEU A 49 1.653 5.474 -9.581 1.00 22.33 H new ATOM 0 HG LEU A 49 3.297 4.460 -11.939 1.00 4.14 H new ATOM 0 HD11 LEU A 49 2.364 2.227 -11.363 1.00 60.23 H new ATOM 0 HD12 LEU A 49 3.356 2.896 -10.046 1.00 60.23 H new ATOM 0 HD13 LEU A 49 1.580 2.934 -9.930 1.00 60.23 H new ATOM 0 HD21 LEU A 49 1.134 3.730 -12.926 1.00 5.41 H new ATOM 0 HD22 LEU A 49 0.266 4.534 -11.597 1.00 5.41 H new ATOM 0 HD23 LEU A 49 1.224 5.498 -12.746 1.00 5.41 H new ATOM 735 N SER A 50 1.612 8.967 -9.663 1.00 63.54 N ATOM 736 CA SER A 50 1.423 9.924 -8.540 1.00 31.24 C ATOM 737 C SER A 50 1.118 9.168 -7.229 1.00 52.42 C ATOM 738 O SER A 50 0.647 8.037 -7.280 1.00 31.35 O ATOM 739 CB SER A 50 0.274 10.915 -8.849 1.00 24.45 C ATOM 740 OG SER A 50 0.037 11.809 -7.763 1.00 41.30 O ATOM 0 H SER A 50 0.941 9.084 -10.422 1.00 63.54 H new ATOM 0 HA SER A 50 2.349 10.486 -8.420 1.00 31.24 H new ATOM 0 HB2 SER A 50 0.519 11.487 -9.744 1.00 24.45 H new ATOM 0 HB3 SER A 50 -0.637 10.358 -9.066 1.00 24.45 H new ATOM 0 HG SER A 50 -0.693 12.420 -7.996 1.00 41.30 H new ATOM 746 N GLN A 51 1.360 9.814 -6.071 1.00 43.01 N ATOM 747 CA GLN A 51 1.199 9.184 -4.724 1.00 14.32 C ATOM 748 C GLN A 51 -0.185 8.500 -4.529 1.00 44.32 C ATOM 749 O GLN A 51 -0.288 7.453 -3.889 1.00 72.11 O ATOM 750 CB GLN A 51 1.429 10.242 -3.613 1.00 50.32 C ATOM 751 CG GLN A 51 2.850 10.852 -3.594 1.00 62.51 C ATOM 752 CD GLN A 51 3.123 11.797 -2.408 1.00 11.03 C ATOM 753 OE1 GLN A 51 4.244 11.884 -1.920 1.00 21.22 O ATOM 754 NE2 GLN A 51 2.119 12.528 -1.948 1.00 13.13 N ATOM 0 H GLN A 51 1.672 10.784 -6.032 1.00 43.01 H new ATOM 0 HA GLN A 51 1.950 8.397 -4.654 1.00 14.32 H new ATOM 0 HB2 GLN A 51 0.704 11.046 -3.738 1.00 50.32 H new ATOM 0 HB3 GLN A 51 1.231 9.783 -2.645 1.00 50.32 H new ATOM 0 HG2 GLN A 51 3.579 10.042 -3.572 1.00 62.51 H new ATOM 0 HG3 GLN A 51 3.009 11.400 -4.523 1.00 62.51 H new ATOM 0 HE21 GLN A 51 1.193 12.443 -2.366 1.00 13.13 H new ATOM 0 HE22 GLN A 51 2.272 13.176 -1.176 1.00 13.13 H new ATOM 763 N VAL A 52 -1.225 9.102 -5.126 1.00 20.14 N ATOM 764 CA VAL A 52 -2.612 8.569 -5.091 1.00 60.31 C ATOM 765 C VAL A 52 -2.747 7.307 -5.987 1.00 3.31 C ATOM 766 O VAL A 52 -3.377 6.319 -5.602 1.00 64.23 O ATOM 767 CB VAL A 52 -3.648 9.659 -5.566 1.00 63.21 C ATOM 768 CG1 VAL A 52 -5.100 9.256 -5.210 1.00 12.33 C ATOM 769 CG2 VAL A 52 -3.288 11.046 -4.995 1.00 14.23 C ATOM 0 H VAL A 52 -1.137 9.973 -5.649 1.00 20.14 H new ATOM 0 HA VAL A 52 -2.829 8.297 -4.058 1.00 60.31 H new ATOM 0 HB VAL A 52 -3.591 9.722 -6.653 1.00 63.21 H new ATOM 0 HG11 VAL A 52 -5.787 10.030 -5.552 1.00 12.33 H new ATOM 0 HG12 VAL A 52 -5.345 8.312 -5.697 1.00 12.33 H new ATOM 0 HG13 VAL A 52 -5.191 9.142 -4.130 1.00 12.33 H new ATOM 0 HG21 VAL A 52 -4.017 11.781 -5.337 1.00 14.23 H new ATOM 0 HG22 VAL A 52 -3.298 11.005 -3.906 1.00 14.23 H new ATOM 0 HG23 VAL A 52 -2.294 11.334 -5.338 1.00 14.23 H new ATOM 779 N GLU A 53 -2.127 7.375 -7.183 1.00 11.10 N ATOM 780 CA GLU A 53 -2.161 6.288 -8.196 1.00 3.13 C ATOM 781 C GLU A 53 -1.336 5.060 -7.739 1.00 5.00 C ATOM 782 O GLU A 53 -1.608 3.926 -8.150 1.00 70.33 O ATOM 783 CB GLU A 53 -1.640 6.821 -9.566 1.00 3.02 C ATOM 784 CG GLU A 53 -2.246 8.174 -10.022 1.00 41.31 C ATOM 785 CD GLU A 53 -3.787 8.220 -9.985 1.00 3.11 C ATOM 786 OE1 GLU A 53 -4.435 7.791 -10.965 1.00 53.53 O ATOM 787 OE2 GLU A 53 -4.354 8.682 -8.968 1.00 73.20 O ATOM 0 H GLU A 53 -1.585 8.187 -7.479 1.00 11.10 H new ATOM 0 HA GLU A 53 -3.195 5.963 -8.310 1.00 3.13 H new ATOM 0 HB2 GLU A 53 -0.557 6.927 -9.508 1.00 3.02 H new ATOM 0 HB3 GLU A 53 -1.846 6.073 -10.331 1.00 3.02 H new ATOM 0 HG2 GLU A 53 -1.854 8.968 -9.386 1.00 41.31 H new ATOM 0 HG3 GLU A 53 -1.911 8.385 -11.038 1.00 41.31 H new ATOM 794 N ILE A 54 -0.318 5.319 -6.894 1.00 62.34 N ATOM 795 CA ILE A 54 0.480 4.275 -6.225 1.00 5.45 C ATOM 796 C ILE A 54 -0.414 3.457 -5.268 1.00 10.11 C ATOM 797 O ILE A 54 -0.400 2.235 -5.313 1.00 11.03 O ATOM 798 CB ILE A 54 1.695 4.903 -5.433 1.00 10.03 C ATOM 799 CG1 ILE A 54 2.679 5.632 -6.410 1.00 52.04 C ATOM 800 CG2 ILE A 54 2.448 3.840 -4.585 1.00 13.43 C ATOM 801 CD1 ILE A 54 3.810 6.392 -5.737 1.00 21.43 C ATOM 0 H ILE A 54 -0.025 6.267 -6.656 1.00 62.34 H new ATOM 0 HA ILE A 54 0.884 3.614 -6.992 1.00 5.45 H new ATOM 0 HB ILE A 54 1.284 5.639 -4.741 1.00 10.03 H new ATOM 0 HG12 ILE A 54 3.110 4.893 -7.085 1.00 52.04 H new ATOM 0 HG13 ILE A 54 2.108 6.329 -7.023 1.00 52.04 H new ATOM 0 HG21 ILE A 54 3.275 4.315 -4.057 1.00 13.43 H new ATOM 0 HG22 ILE A 54 1.762 3.399 -3.862 1.00 13.43 H new ATOM 0 HG23 ILE A 54 2.836 3.060 -5.240 1.00 13.43 H new ATOM 0 HD11 ILE A 54 4.435 6.861 -6.496 1.00 21.43 H new ATOM 0 HD12 ILE A 54 3.395 7.159 -5.084 1.00 21.43 H new ATOM 0 HD13 ILE A 54 4.412 5.701 -5.147 1.00 21.43 H new ATOM 813 N LEU A 55 -1.209 4.167 -4.432 1.00 74.34 N ATOM 814 CA LEU A 55 -2.184 3.539 -3.497 1.00 31.13 C ATOM 815 C LEU A 55 -3.130 2.561 -4.227 1.00 13.22 C ATOM 816 O LEU A 55 -3.322 1.424 -3.792 1.00 0.42 O ATOM 817 CB LEU A 55 -3.032 4.633 -2.796 1.00 1.00 C ATOM 818 CG LEU A 55 -2.258 5.651 -1.914 1.00 54.35 C ATOM 819 CD1 LEU A 55 -3.196 6.746 -1.349 1.00 31.53 C ATOM 820 CD2 LEU A 55 -1.504 4.923 -0.790 1.00 30.15 C ATOM 0 H LEU A 55 -1.196 5.186 -4.384 1.00 74.34 H new ATOM 0 HA LEU A 55 -1.610 2.978 -2.759 1.00 31.13 H new ATOM 0 HB2 LEU A 55 -3.574 5.188 -3.562 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -3.778 4.139 -2.173 1.00 1.00 H new ATOM 0 HG LEU A 55 -1.526 6.155 -2.545 1.00 54.35 H new ATOM 0 HD11 LEU A 55 -2.619 7.439 -0.737 1.00 31.53 H new ATOM 0 HD12 LEU A 55 -3.660 7.288 -2.173 1.00 31.53 H new ATOM 0 HD13 LEU A 55 -3.971 6.282 -0.738 1.00 31.53 H new ATOM 0 HD21 LEU A 55 -0.967 5.651 -0.181 1.00 30.15 H new ATOM 0 HD22 LEU A 55 -2.215 4.382 -0.166 1.00 30.15 H new ATOM 0 HD23 LEU A 55 -0.794 4.219 -1.225 1.00 30.15 H new ATOM 832 N GLN A 56 -3.686 3.043 -5.351 1.00 71.04 N ATOM 833 CA GLN A 56 -4.606 2.278 -6.217 1.00 32.35 C ATOM 834 C GLN A 56 -3.915 1.029 -6.810 1.00 63.21 C ATOM 835 O GLN A 56 -4.491 -0.057 -6.812 1.00 24.21 O ATOM 836 CB GLN A 56 -5.123 3.195 -7.355 1.00 71.21 C ATOM 837 CG GLN A 56 -5.814 4.481 -6.853 1.00 35.01 C ATOM 838 CD GLN A 56 -6.162 5.473 -7.964 1.00 12.33 C ATOM 839 OE1 GLN A 56 -6.461 5.088 -9.089 1.00 70.11 O ATOM 840 NE2 GLN A 56 -6.097 6.757 -7.665 1.00 61.11 N ATOM 0 H GLN A 56 -3.508 3.988 -5.691 1.00 71.04 H new ATOM 0 HA GLN A 56 -5.445 1.935 -5.612 1.00 32.35 H new ATOM 0 HB2 GLN A 56 -4.286 3.470 -7.996 1.00 71.21 H new ATOM 0 HB3 GLN A 56 -5.825 2.633 -7.971 1.00 71.21 H new ATOM 0 HG2 GLN A 56 -6.727 4.208 -6.324 1.00 35.01 H new ATOM 0 HG3 GLN A 56 -5.163 4.973 -6.131 1.00 35.01 H new ATOM 0 HE21 GLN A 56 -5.846 7.049 -6.720 1.00 61.11 H new ATOM 0 HE22 GLN A 56 -6.298 7.458 -8.378 1.00 61.11 H new ATOM 849 N ARG A 57 -2.659 1.206 -7.286 1.00 14.12 N ATOM 850 CA ARG A 57 -1.856 0.120 -7.907 1.00 12.45 C ATOM 851 C ARG A 57 -1.500 -0.985 -6.874 1.00 55.10 C ATOM 852 O ARG A 57 -1.415 -2.170 -7.216 1.00 72.23 O ATOM 853 CB ARG A 57 -0.554 0.701 -8.544 1.00 72.22 C ATOM 854 CG ARG A 57 0.168 -0.240 -9.555 1.00 71.31 C ATOM 855 CD ARG A 57 -0.419 -0.201 -10.985 1.00 72.33 C ATOM 856 NE ARG A 57 -1.857 -0.527 -11.051 1.00 61.33 N ATOM 857 CZ ARG A 57 -2.667 -0.170 -12.033 1.00 2.43 C ATOM 858 NH1 ARG A 57 -2.233 0.480 -13.067 1.00 13.43 N ATOM 859 NH2 ARG A 57 -3.916 -0.469 -11.976 1.00 63.20 N ATOM 0 H ARG A 57 -2.173 2.102 -7.251 1.00 14.12 H new ATOM 0 HA ARG A 57 -2.463 -0.335 -8.690 1.00 12.45 H new ATOM 0 HB2 ARG A 57 -0.802 1.632 -9.053 1.00 72.22 H new ATOM 0 HB3 ARG A 57 0.143 0.951 -7.744 1.00 72.22 H new ATOM 0 HG2 ARG A 57 1.222 0.033 -9.599 1.00 71.31 H new ATOM 0 HG3 ARG A 57 0.119 -1.263 -9.182 1.00 71.31 H new ATOM 0 HD2 ARG A 57 -0.262 0.793 -11.404 1.00 72.33 H new ATOM 0 HD3 ARG A 57 0.132 -0.902 -11.612 1.00 72.33 H new ATOM 0 HE ARG A 57 -2.255 -1.067 -10.283 1.00 61.33 H new ATOM 0 HH11 ARG A 57 -1.246 0.728 -13.136 1.00 13.43 H new ATOM 0 HH12 ARG A 57 -2.879 0.744 -13.811 1.00 13.43 H new ATOM 0 HH21 ARG A 57 -4.282 -0.981 -11.173 1.00 63.20 H new ATOM 0 HH22 ARG A 57 -4.541 -0.194 -12.733 1.00 63.20 H new ATOM 873 N VAL A 58 -1.291 -0.569 -5.609 1.00 1.51 N ATOM 874 CA VAL A 58 -1.060 -1.492 -4.476 1.00 71.21 C ATOM 875 C VAL A 58 -2.346 -2.304 -4.155 1.00 14.22 C ATOM 876 O VAL A 58 -2.262 -3.486 -3.826 1.00 71.32 O ATOM 877 CB VAL A 58 -0.548 -0.724 -3.190 1.00 61.03 C ATOM 878 CG1 VAL A 58 -0.410 -1.671 -1.974 1.00 3.52 C ATOM 879 CG2 VAL A 58 0.801 -0.008 -3.463 1.00 55.00 C ATOM 0 H VAL A 58 -1.277 0.415 -5.342 1.00 1.51 H new ATOM 0 HA VAL A 58 -0.277 -2.188 -4.776 1.00 71.21 H new ATOM 0 HB VAL A 58 -1.300 0.028 -2.950 1.00 61.03 H new ATOM 0 HG11 VAL A 58 -0.056 -1.106 -1.111 1.00 3.52 H new ATOM 0 HG12 VAL A 58 -1.380 -2.113 -1.745 1.00 3.52 H new ATOM 0 HG13 VAL A 58 0.303 -2.461 -2.208 1.00 3.52 H new ATOM 0 HG21 VAL A 58 1.127 0.510 -2.561 1.00 55.00 H new ATOM 0 HG22 VAL A 58 1.552 -0.744 -3.750 1.00 55.00 H new ATOM 0 HG23 VAL A 58 0.673 0.713 -4.270 1.00 55.00 H new ATOM 889 N ILE A 59 -3.532 -1.660 -4.278 1.00 4.22 N ATOM 890 CA ILE A 59 -4.844 -2.348 -4.128 1.00 63.43 C ATOM 891 C ILE A 59 -4.980 -3.490 -5.173 1.00 24.04 C ATOM 892 O ILE A 59 -5.347 -4.611 -4.815 1.00 61.34 O ATOM 893 CB ILE A 59 -6.050 -1.330 -4.241 1.00 33.11 C ATOM 894 CG1 ILE A 59 -5.975 -0.256 -3.100 1.00 73.51 C ATOM 895 CG2 ILE A 59 -7.428 -2.050 -4.232 1.00 44.13 C ATOM 896 CD1 ILE A 59 -7.002 0.860 -3.200 1.00 54.23 C ATOM 0 H ILE A 59 -3.610 -0.663 -4.481 1.00 4.22 H new ATOM 0 HA ILE A 59 -4.881 -2.786 -3.130 1.00 63.43 H new ATOM 0 HB ILE A 59 -5.959 -0.826 -5.203 1.00 33.11 H new ATOM 0 HG12 ILE A 59 -6.098 -0.758 -2.140 1.00 73.51 H new ATOM 0 HG13 ILE A 59 -4.979 0.186 -3.103 1.00 73.51 H new ATOM 0 HG21 ILE A 59 -8.225 -1.311 -4.312 1.00 44.13 H new ATOM 0 HG22 ILE A 59 -7.485 -2.737 -5.076 1.00 44.13 H new ATOM 0 HG23 ILE A 59 -7.541 -2.607 -3.302 1.00 44.13 H new ATOM 0 HD11 ILE A 59 -6.870 1.552 -2.368 1.00 54.23 H new ATOM 0 HD12 ILE A 59 -6.868 1.394 -4.141 1.00 54.23 H new ATOM 0 HD13 ILE A 59 -8.005 0.436 -3.163 1.00 54.23 H new ATOM 908 N ASP A 60 -4.636 -3.198 -6.454 1.00 5.42 N ATOM 909 CA ASP A 60 -4.579 -4.226 -7.534 1.00 65.21 C ATOM 910 C ASP A 60 -3.637 -5.390 -7.152 1.00 4.55 C ATOM 911 O ASP A 60 -4.024 -6.560 -7.208 1.00 5.41 O ATOM 912 CB ASP A 60 -4.101 -3.607 -8.875 1.00 72.51 C ATOM 913 CG ASP A 60 -5.039 -2.525 -9.410 1.00 0.03 C ATOM 914 OD1 ASP A 60 -6.128 -2.871 -9.923 1.00 1.23 O ATOM 915 OD2 ASP A 60 -4.698 -1.330 -9.339 1.00 1.23 O ATOM 0 H ASP A 60 -4.393 -2.258 -6.768 1.00 5.42 H new ATOM 0 HA ASP A 60 -5.591 -4.611 -7.657 1.00 65.21 H new ATOM 0 HB2 ASP A 60 -3.107 -3.181 -8.737 1.00 72.51 H new ATOM 0 HB3 ASP A 60 -4.008 -4.398 -9.619 1.00 72.51 H new ATOM 920 N TYR A 61 -2.422 -5.018 -6.723 1.00 61.12 N ATOM 921 CA TYR A 61 -1.348 -5.960 -6.352 1.00 62.44 C ATOM 922 C TYR A 61 -1.806 -6.979 -5.277 1.00 74.21 C ATOM 923 O TYR A 61 -1.630 -8.188 -5.449 1.00 52.32 O ATOM 924 CB TYR A 61 -0.121 -5.142 -5.848 1.00 22.41 C ATOM 925 CG TYR A 61 1.009 -5.959 -5.186 1.00 42.24 C ATOM 926 CD1 TYR A 61 1.857 -6.765 -5.947 1.00 53.41 C ATOM 927 CD2 TYR A 61 1.222 -5.925 -3.802 1.00 0.51 C ATOM 928 CE1 TYR A 61 2.863 -7.502 -5.361 1.00 11.21 C ATOM 929 CE2 TYR A 61 2.231 -6.659 -3.217 1.00 15.32 C ATOM 930 CZ TYR A 61 3.047 -7.447 -3.998 1.00 52.04 C ATOM 931 OH TYR A 61 4.045 -8.195 -3.411 1.00 4.04 O ATOM 0 H TYR A 61 -2.151 -4.040 -6.621 1.00 61.12 H new ATOM 0 HA TYR A 61 -1.077 -6.542 -7.233 1.00 62.44 H new ATOM 0 HB2 TYR A 61 0.299 -4.596 -6.693 1.00 22.41 H new ATOM 0 HB3 TYR A 61 -0.473 -4.399 -5.132 1.00 22.41 H new ATOM 0 HD1 TYR A 61 1.722 -6.812 -7.017 1.00 53.41 H new ATOM 0 HD2 TYR A 61 0.584 -5.313 -3.182 1.00 0.51 H new ATOM 0 HE1 TYR A 61 3.505 -8.121 -5.970 1.00 11.21 H new ATOM 0 HE2 TYR A 61 2.382 -6.616 -2.148 1.00 15.32 H new ATOM 0 HH TYR A 61 4.194 -9.010 -3.935 1.00 4.04 H new ATOM 941 N ILE A 62 -2.419 -6.471 -4.192 1.00 12.34 N ATOM 942 CA ILE A 62 -2.876 -7.306 -3.060 1.00 21.21 C ATOM 943 C ILE A 62 -4.083 -8.200 -3.470 1.00 32.54 C ATOM 944 O ILE A 62 -4.174 -9.348 -3.037 1.00 60.04 O ATOM 945 CB ILE A 62 -3.242 -6.426 -1.803 1.00 1.11 C ATOM 946 CG1 ILE A 62 -2.036 -5.516 -1.373 1.00 32.10 C ATOM 947 CG2 ILE A 62 -3.689 -7.319 -0.621 1.00 34.24 C ATOM 948 CD1 ILE A 62 -2.333 -4.556 -0.223 1.00 31.25 C ATOM 0 H ILE A 62 -2.612 -5.476 -4.073 1.00 12.34 H new ATOM 0 HA ILE A 62 -2.047 -7.957 -2.785 1.00 21.21 H new ATOM 0 HB ILE A 62 -4.072 -5.777 -2.084 1.00 1.11 H new ATOM 0 HG12 ILE A 62 -1.201 -6.156 -1.087 1.00 32.10 H new ATOM 0 HG13 ILE A 62 -1.711 -4.936 -2.237 1.00 32.10 H new ATOM 0 HG21 ILE A 62 -3.937 -6.692 0.235 1.00 34.24 H new ATOM 0 HG22 ILE A 62 -4.566 -7.897 -0.913 1.00 34.24 H new ATOM 0 HG23 ILE A 62 -2.880 -7.998 -0.352 1.00 34.24 H new ATOM 0 HD11 ILE A 62 -1.441 -3.971 0.002 1.00 31.25 H new ATOM 0 HD12 ILE A 62 -3.144 -3.886 -0.508 1.00 31.25 H new ATOM 0 HD13 ILE A 62 -2.626 -5.125 0.659 1.00 31.25 H new ATOM 960 N LEU A 63 -4.991 -7.663 -4.317 1.00 73.44 N ATOM 961 CA LEU A 63 -6.140 -8.435 -4.874 1.00 14.21 C ATOM 962 C LEU A 63 -5.683 -9.641 -5.740 1.00 72.54 C ATOM 963 O LEU A 63 -6.395 -10.648 -5.826 1.00 52.12 O ATOM 964 CB LEU A 63 -7.068 -7.504 -5.707 1.00 71.53 C ATOM 965 CG LEU A 63 -7.921 -6.473 -4.900 1.00 53.14 C ATOM 966 CD1 LEU A 63 -8.702 -5.520 -5.840 1.00 43.53 C ATOM 967 CD2 LEU A 63 -8.868 -7.195 -3.914 1.00 11.54 C ATOM 0 H LEU A 63 -4.955 -6.694 -4.634 1.00 73.44 H new ATOM 0 HA LEU A 63 -6.693 -8.836 -4.024 1.00 14.21 H new ATOM 0 HB2 LEU A 63 -6.452 -6.955 -6.419 1.00 71.53 H new ATOM 0 HB3 LEU A 63 -7.746 -8.129 -6.288 1.00 71.53 H new ATOM 0 HG LEU A 63 -7.235 -5.858 -4.317 1.00 53.14 H new ATOM 0 HD11 LEU A 63 -9.284 -4.817 -5.244 1.00 43.53 H new ATOM 0 HD12 LEU A 63 -7.999 -4.970 -6.466 1.00 43.53 H new ATOM 0 HD13 LEU A 63 -9.373 -6.102 -6.472 1.00 43.53 H new ATOM 0 HD21 LEU A 63 -9.451 -6.457 -3.364 1.00 11.54 H new ATOM 0 HD22 LEU A 63 -9.541 -7.849 -4.469 1.00 11.54 H new ATOM 0 HD23 LEU A 63 -8.280 -7.789 -3.214 1.00 11.54 H new ATOM 979 N ASP A 64 -4.513 -9.513 -6.404 1.00 55.42 N ATOM 980 CA ASP A 64 -3.891 -10.619 -7.166 1.00 63.23 C ATOM 981 C ASP A 64 -3.276 -11.691 -6.228 1.00 21.23 C ATOM 982 O ASP A 64 -3.216 -12.874 -6.579 1.00 61.44 O ATOM 983 CB ASP A 64 -2.820 -10.070 -8.145 1.00 33.05 C ATOM 984 CG ASP A 64 -3.410 -9.160 -9.237 1.00 23.15 C ATOM 985 OD1 ASP A 64 -4.424 -9.546 -9.869 1.00 50.11 O ATOM 986 OD2 ASP A 64 -2.869 -8.060 -9.478 1.00 11.32 O ATOM 0 H ASP A 64 -3.976 -8.646 -6.427 1.00 55.42 H new ATOM 0 HA ASP A 64 -4.679 -11.104 -7.743 1.00 63.23 H new ATOM 0 HB2 ASP A 64 -2.072 -9.513 -7.581 1.00 33.05 H new ATOM 0 HB3 ASP A 64 -2.305 -10.907 -8.617 1.00 33.05 H new ATOM 991 N LEU A 65 -2.801 -11.259 -5.048 1.00 50.21 N ATOM 992 CA LEU A 65 -2.263 -12.177 -4.007 1.00 62.11 C ATOM 993 C LEU A 65 -3.402 -12.884 -3.223 1.00 23.15 C ATOM 994 O LEU A 65 -3.242 -14.004 -2.729 1.00 15.02 O ATOM 995 CB LEU A 65 -1.347 -11.393 -3.032 1.00 43.31 C ATOM 996 CG LEU A 65 -0.189 -10.568 -3.687 1.00 41.34 C ATOM 997 CD1 LEU A 65 0.711 -9.914 -2.618 1.00 72.42 C ATOM 998 CD2 LEU A 65 0.637 -11.424 -4.683 1.00 74.34 C ATOM 0 H LEU A 65 -2.775 -10.275 -4.782 1.00 50.21 H new ATOM 0 HA LEU A 65 -1.680 -12.949 -4.509 1.00 62.11 H new ATOM 0 HB2 LEU A 65 -1.968 -10.711 -2.451 1.00 43.31 H new ATOM 0 HB3 LEU A 65 -0.908 -12.101 -2.329 1.00 43.31 H new ATOM 0 HG LEU A 65 -0.650 -9.765 -4.262 1.00 41.34 H new ATOM 0 HD11 LEU A 65 1.505 -9.349 -3.107 1.00 72.42 H new ATOM 0 HD12 LEU A 65 0.114 -9.242 -2.001 1.00 72.42 H new ATOM 0 HD13 LEU A 65 1.151 -10.688 -1.990 1.00 72.42 H new ATOM 0 HD21 LEU A 65 1.430 -10.815 -5.116 1.00 74.34 H new ATOM 0 HD22 LEU A 65 1.076 -12.272 -4.157 1.00 74.34 H new ATOM 0 HD23 LEU A 65 -0.015 -11.788 -5.477 1.00 74.34 H new ATOM 1010 N GLN A 66 -4.541 -12.190 -3.111 1.00 5.14 N ATOM 1011 CA GLN A 66 -5.772 -12.694 -2.454 1.00 12.24 C ATOM 1012 C GLN A 66 -6.817 -13.106 -3.523 1.00 31.40 C ATOM 1013 O GLN A 66 -6.484 -13.262 -4.701 1.00 43.20 O ATOM 1014 CB GLN A 66 -6.345 -11.579 -1.528 1.00 74.10 C ATOM 1015 CG GLN A 66 -5.412 -11.151 -0.368 1.00 72.43 C ATOM 1016 CD GLN A 66 -5.967 -9.992 0.472 1.00 42.10 C ATOM 1017 OE1 GLN A 66 -6.685 -9.129 -0.021 1.00 61.23 O ATOM 1018 NE2 GLN A 66 -5.638 -9.961 1.747 1.00 35.05 N ATOM 0 H GLN A 66 -4.644 -11.244 -3.478 1.00 5.14 H new ATOM 0 HA GLN A 66 -5.536 -13.573 -1.855 1.00 12.24 H new ATOM 0 HB2 GLN A 66 -6.570 -10.703 -2.136 1.00 74.10 H new ATOM 0 HB3 GLN A 66 -7.288 -11.926 -1.107 1.00 74.10 H new ATOM 0 HG2 GLN A 66 -5.237 -12.008 0.282 1.00 72.43 H new ATOM 0 HG3 GLN A 66 -4.445 -10.860 -0.779 1.00 72.43 H new ATOM 0 HE21 GLN A 66 -5.039 -10.689 2.137 1.00 35.05 H new ATOM 0 HE22 GLN A 66 -5.982 -9.209 2.344 1.00 35.05 H new ATOM 1431 N ASP B 27 -11.220 14.130 -0.720 1.00 34.21 N ATOM 1432 CA ASP B 27 -10.252 13.227 -0.050 1.00 23.24 C ATOM 1433 C ASP B 27 -9.896 12.002 -0.946 1.00 54.14 C ATOM 1434 O ASP B 27 -9.989 10.847 -0.519 1.00 53.41 O ATOM 1435 CB ASP B 27 -10.826 12.807 1.340 1.00 53.11 C ATOM 1436 CG ASP B 27 -12.146 12.000 1.282 1.00 22.42 C ATOM 1437 OD1 ASP B 27 -13.106 12.438 0.613 1.00 71.23 O ATOM 1438 OD2 ASP B 27 -12.235 10.928 1.921 1.00 63.13 O ATOM 0 HA ASP B 27 -9.313 13.756 0.111 1.00 23.24 H new ATOM 0 HB2 ASP B 27 -10.076 12.213 1.862 1.00 53.11 H new ATOM 0 HB3 ASP B 27 -10.992 13.705 1.935 1.00 53.11 H new ATOM 1443 N ASP B 28 -9.404 12.301 -2.166 1.00 60.04 N ATOM 1444 CA ASP B 28 -9.095 11.297 -3.229 1.00 63.14 C ATOM 1445 C ASP B 28 -8.187 10.140 -2.718 1.00 53.43 C ATOM 1446 O ASP B 28 -8.381 8.965 -3.061 1.00 0.15 O ATOM 1447 CB ASP B 28 -8.405 12.010 -4.424 1.00 33.05 C ATOM 1448 CG ASP B 28 -9.106 13.320 -4.836 1.00 31.51 C ATOM 1449 OD1 ASP B 28 -10.237 13.259 -5.342 1.00 72.30 O ATOM 1450 OD2 ASP B 28 -8.532 14.411 -4.620 1.00 33.51 O ATOM 0 H ASP B 28 -9.204 13.259 -2.454 1.00 60.04 H new ATOM 0 HA ASP B 28 -10.040 10.851 -3.540 1.00 63.14 H new ATOM 0 HB2 ASP B 28 -7.370 12.227 -4.161 1.00 33.05 H new ATOM 0 HB3 ASP B 28 -8.382 11.333 -5.278 1.00 33.05 H new ATOM 1455 N MET B 29 -7.208 10.515 -1.878 1.00 11.35 N ATOM 1456 CA MET B 29 -6.239 9.573 -1.283 1.00 12.32 C ATOM 1457 C MET B 29 -6.888 8.668 -0.212 1.00 44.04 C ATOM 1458 O MET B 29 -6.590 7.475 -0.141 1.00 34.41 O ATOM 1459 CB MET B 29 -5.057 10.352 -0.644 1.00 50.14 C ATOM 1460 CG MET B 29 -4.393 11.382 -1.564 1.00 31.15 C ATOM 1461 SD MET B 29 -2.775 11.921 -0.969 1.00 12.20 S ATOM 1462 CE MET B 29 -1.841 10.388 -1.076 1.00 45.02 C ATOM 0 H MET B 29 -7.064 11.483 -1.590 1.00 11.35 H new ATOM 0 HA MET B 29 -5.876 8.936 -2.090 1.00 12.32 H new ATOM 0 HB2 MET B 29 -5.417 10.863 0.249 1.00 50.14 H new ATOM 0 HB3 MET B 29 -4.302 9.636 -0.319 1.00 50.14 H new ATOM 0 HG2 MET B 29 -4.283 10.954 -2.560 1.00 31.15 H new ATOM 0 HG3 MET B 29 -5.046 12.249 -1.660 1.00 31.15 H new ATOM 0 HE1 MET B 29 -0.784 10.615 -1.216 1.00 45.02 H new ATOM 0 HE2 MET B 29 -1.971 9.818 -0.156 1.00 45.02 H new ATOM 0 HE3 MET B 29 -2.201 9.801 -1.921 1.00 45.02 H new ATOM 1472 N ASN B 30 -7.771 9.268 0.617 1.00 44.34 N ATOM 1473 CA ASN B 30 -8.378 8.607 1.800 1.00 42.15 C ATOM 1474 C ASN B 30 -9.275 7.406 1.396 1.00 42.14 C ATOM 1475 O ASN B 30 -9.312 6.395 2.099 1.00 62.11 O ATOM 1476 CB ASN B 30 -9.182 9.645 2.625 1.00 10.21 C ATOM 1477 CG ASN B 30 -9.717 9.116 3.965 1.00 24.43 C ATOM 1478 OD1 ASN B 30 -9.094 8.286 4.621 1.00 43.30 O ATOM 1479 ND2 ASN B 30 -10.883 9.593 4.370 1.00 75.50 N ATOM 0 H ASN B 30 -8.086 10.229 0.486 1.00 44.34 H new ATOM 0 HA ASN B 30 -7.572 8.207 2.415 1.00 42.15 H new ATOM 0 HB2 ASN B 30 -8.546 10.509 2.818 1.00 10.21 H new ATOM 0 HB3 ASN B 30 -10.022 9.995 2.025 1.00 10.21 H new ATOM 0 HD21 ASN B 30 -11.288 9.272 5.249 1.00 75.50 H new ATOM 0 HD22 ASN B 30 -11.377 10.282 3.803 1.00 75.50 H new ATOM 1486 N HIS B 31 -9.980 7.544 0.251 1.00 40.14 N ATOM 1487 CA HIS B 31 -10.776 6.441 -0.360 1.00 30.15 C ATOM 1488 C HIS B 31 -9.893 5.195 -0.629 1.00 3.22 C ATOM 1489 O HIS B 31 -10.306 4.059 -0.380 1.00 12.24 O ATOM 1490 CB HIS B 31 -11.429 6.908 -1.694 1.00 54.42 C ATOM 1491 CG HIS B 31 -12.524 7.940 -1.549 1.00 74.50 C ATOM 1492 ND1 HIS B 31 -13.732 7.802 -2.199 1.00 51.51 N ATOM 1493 CD2 HIS B 31 -12.539 9.099 -0.852 1.00 64.53 C ATOM 1494 CE1 HIS B 31 -14.437 8.870 -1.881 1.00 31.40 C ATOM 1495 NE2 HIS B 31 -13.753 9.678 -1.070 1.00 24.14 N ATOM 0 H HIS B 31 -10.017 8.415 -0.278 1.00 40.14 H new ATOM 0 HA HIS B 31 -11.558 6.171 0.350 1.00 30.15 H new ATOM 0 HB2 HIS B 31 -10.650 7.317 -2.338 1.00 54.42 H new ATOM 0 HB3 HIS B 31 -11.839 6.036 -2.204 1.00 54.42 H new ATOM 0 HD2 HIS B 31 -11.741 9.491 -0.239 1.00 64.53 H new ATOM 0 HE1 HIS B 31 -15.439 9.065 -2.232 1.00 31.40 H new ATOM 0 HE2 HIS B 31 -14.078 10.565 -0.685 1.00 24.14 H new ATOM 1503 N CYS B 32 -8.676 5.440 -1.140 1.00 23.24 N ATOM 1504 CA CYS B 32 -7.691 4.380 -1.441 1.00 32.23 C ATOM 1505 C CYS B 32 -7.081 3.782 -0.140 1.00 53.34 C ATOM 1506 O CYS B 32 -6.890 2.563 -0.037 1.00 73.13 O ATOM 1507 CB CYS B 32 -6.585 4.952 -2.352 1.00 53.22 C ATOM 1508 SG CYS B 32 -7.202 5.717 -3.879 1.00 51.11 S ATOM 0 H CYS B 32 -8.343 6.379 -1.358 1.00 23.24 H new ATOM 0 HA CYS B 32 -8.201 3.568 -1.959 1.00 32.23 H new ATOM 0 HB2 CYS B 32 -6.015 5.693 -1.792 1.00 53.22 H new ATOM 0 HB3 CYS B 32 -5.894 4.150 -2.614 1.00 53.22 H new ATOM 0 HG CYS B 32 -7.626 6.919 -3.622 1.00 51.11 H new ATOM 1514 N TYR B 33 -6.802 4.665 0.852 1.00 45.42 N ATOM 1515 CA TYR B 33 -6.304 4.269 2.199 1.00 14.24 C ATOM 1516 C TYR B 33 -7.276 3.310 2.925 1.00 54.53 C ATOM 1517 O TYR B 33 -6.840 2.412 3.650 1.00 65.34 O ATOM 1518 CB TYR B 33 -6.051 5.522 3.090 1.00 21.33 C ATOM 1519 CG TYR B 33 -4.740 6.282 2.803 1.00 63.34 C ATOM 1520 CD1 TYR B 33 -3.510 5.632 2.913 1.00 64.22 C ATOM 1521 CD2 TYR B 33 -4.720 7.642 2.482 1.00 21.05 C ATOM 1522 CE1 TYR B 33 -2.323 6.299 2.723 1.00 71.50 C ATOM 1523 CE2 TYR B 33 -3.532 8.312 2.277 1.00 43.33 C ATOM 1524 CZ TYR B 33 -2.335 7.639 2.401 1.00 14.11 C ATOM 1525 OH TYR B 33 -1.152 8.321 2.229 1.00 52.33 O ATOM 0 H TYR B 33 -6.915 5.673 0.743 1.00 45.42 H new ATOM 0 HA TYR B 33 -5.364 3.741 2.038 1.00 14.24 H new ATOM 0 HB2 TYR B 33 -6.886 6.211 2.964 1.00 21.33 H new ATOM 0 HB3 TYR B 33 -6.050 5.210 4.134 1.00 21.33 H new ATOM 0 HD1 TYR B 33 -3.490 4.579 3.153 1.00 64.22 H new ATOM 0 HD2 TYR B 33 -5.653 8.179 2.393 1.00 21.05 H new ATOM 0 HE1 TYR B 33 -1.384 5.775 2.826 1.00 71.50 H new ATOM 0 HE2 TYR B 33 -3.539 9.361 2.020 1.00 43.33 H new ATOM 0 HH TYR B 33 -0.782 8.116 1.345 1.00 52.33 H new ATOM 1535 N SER B 34 -8.588 3.538 2.724 1.00 10.33 N ATOM 1536 CA SER B 34 -9.661 2.693 3.294 1.00 54.20 C ATOM 1537 C SER B 34 -9.502 1.211 2.883 1.00 42.04 C ATOM 1538 O SER B 34 -9.509 0.327 3.738 1.00 73.42 O ATOM 1539 CB SER B 34 -11.051 3.218 2.856 1.00 11.33 C ATOM 1540 OG SER B 34 -11.266 4.556 3.293 1.00 50.35 O ATOM 0 H SER B 34 -8.937 4.314 2.161 1.00 10.33 H new ATOM 0 HA SER B 34 -9.580 2.750 4.380 1.00 54.20 H new ATOM 0 HB2 SER B 34 -11.133 3.171 1.770 1.00 11.33 H new ATOM 0 HB3 SER B 34 -11.829 2.572 3.262 1.00 11.33 H new ATOM 0 HG SER B 34 -10.610 5.148 2.869 1.00 50.35 H new ATOM 1546 N ARG B 35 -9.306 0.965 1.569 1.00 72.24 N ATOM 1547 CA ARG B 35 -9.179 -0.410 1.023 1.00 10.32 C ATOM 1548 C ARG B 35 -7.820 -1.048 1.355 1.00 4.23 C ATOM 1549 O ARG B 35 -7.730 -2.271 1.424 1.00 23.11 O ATOM 1550 CB ARG B 35 -9.456 -0.466 -0.512 1.00 23.45 C ATOM 1551 CG ARG B 35 -10.950 -0.341 -0.892 1.00 32.34 C ATOM 1552 CD ARG B 35 -11.503 1.086 -0.720 1.00 31.55 C ATOM 1553 NE ARG B 35 -12.971 1.145 -0.799 1.00 2.31 N ATOM 1554 CZ ARG B 35 -13.687 2.255 -0.819 1.00 14.21 C ATOM 1555 NH1 ARG B 35 -13.125 3.427 -0.830 1.00 71.25 N ATOM 1556 NH2 ARG B 35 -14.976 2.179 -0.816 1.00 52.22 N ATOM 0 H ARG B 35 -9.232 1.699 0.864 1.00 72.24 H new ATOM 0 HA ARG B 35 -9.950 -1.000 1.519 1.00 10.32 H new ATOM 0 HB2 ARG B 35 -8.901 0.335 -0.999 1.00 23.45 H new ATOM 0 HB3 ARG B 35 -9.070 -1.406 -0.905 1.00 23.45 H new ATOM 0 HG2 ARG B 35 -11.082 -0.652 -1.928 1.00 32.34 H new ATOM 0 HG3 ARG B 35 -11.533 -1.026 -0.277 1.00 32.34 H new ATOM 0 HD2 ARG B 35 -11.180 1.482 0.243 1.00 31.55 H new ATOM 0 HD3 ARG B 35 -11.077 1.730 -1.489 1.00 31.55 H new ATOM 0 HE ARG B 35 -13.475 0.259 -0.842 1.00 2.31 H new ATOM 0 HH11 ARG B 35 -12.108 3.505 -0.823 1.00 71.25 H new ATOM 0 HH12 ARG B 35 -13.701 4.269 -0.845 1.00 71.25 H new ATOM 0 HH21 ARG B 35 -15.433 1.267 -0.798 1.00 52.22 H new ATOM 0 HH22 ARG B 35 -15.537 3.031 -0.831 1.00 52.22 H new ATOM 1570 N LEU B 36 -6.773 -0.227 1.563 1.00 50.43 N ATOM 1571 CA LEU B 36 -5.485 -0.723 2.098 1.00 23.45 C ATOM 1572 C LEU B 36 -5.709 -1.381 3.479 1.00 45.45 C ATOM 1573 O LEU B 36 -5.327 -2.520 3.688 1.00 43.01 O ATOM 1574 CB LEU B 36 -4.433 0.414 2.202 1.00 53.03 C ATOM 1575 CG LEU B 36 -3.991 1.070 0.855 1.00 72.51 C ATOM 1576 CD1 LEU B 36 -2.957 2.187 1.105 1.00 73.14 C ATOM 1577 CD2 LEU B 36 -3.450 0.019 -0.151 1.00 70.24 C ATOM 0 H LEU B 36 -6.790 0.775 1.371 1.00 50.43 H new ATOM 0 HA LEU B 36 -5.094 -1.467 1.404 1.00 23.45 H new ATOM 0 HB2 LEU B 36 -4.835 1.195 2.848 1.00 53.03 H new ATOM 0 HB3 LEU B 36 -3.547 0.017 2.697 1.00 53.03 H new ATOM 0 HG LEU B 36 -4.876 1.518 0.403 1.00 72.51 H new ATOM 0 HD11 LEU B 36 -2.663 2.630 0.154 1.00 73.14 H new ATOM 0 HD12 LEU B 36 -3.397 2.954 1.742 1.00 73.14 H new ATOM 0 HD13 LEU B 36 -2.079 1.767 1.596 1.00 73.14 H new ATOM 0 HD21 LEU B 36 -3.154 0.518 -1.074 1.00 70.24 H new ATOM 0 HD22 LEU B 36 -2.587 -0.487 0.281 1.00 70.24 H new ATOM 0 HD23 LEU B 36 -4.229 -0.712 -0.367 1.00 70.24 H new ATOM 1589 N ARG B 37 -6.417 -0.666 4.379 1.00 40.05 N ATOM 1590 CA ARG B 37 -6.749 -1.170 5.741 1.00 2.03 C ATOM 1591 C ARG B 37 -7.552 -2.503 5.713 1.00 44.20 C ATOM 1592 O ARG B 37 -7.462 -3.307 6.647 1.00 54.42 O ATOM 1593 CB ARG B 37 -7.573 -0.119 6.522 1.00 4.12 C ATOM 1594 CG ARG B 37 -6.896 1.255 6.713 1.00 43.25 C ATOM 1595 CD ARG B 37 -7.791 2.207 7.521 1.00 61.41 C ATOM 1596 NE ARG B 37 -7.305 3.600 7.526 1.00 50.23 N ATOM 1597 CZ ARG B 37 -7.978 4.641 7.068 1.00 75.24 C ATOM 1598 NH1 ARG B 37 -9.099 4.490 6.425 1.00 11.23 N ATOM 1599 NH2 ARG B 37 -7.509 5.833 7.244 1.00 1.41 N ATOM 0 H ARG B 37 -6.775 0.270 4.190 1.00 40.05 H new ATOM 0 HA ARG B 37 -5.795 -1.356 6.235 1.00 2.03 H new ATOM 0 HB2 ARG B 37 -8.520 0.032 6.003 1.00 4.12 H new ATOM 0 HB3 ARG B 37 -7.809 -0.527 7.505 1.00 4.12 H new ATOM 0 HG2 ARG B 37 -5.942 1.126 7.225 1.00 43.25 H new ATOM 0 HG3 ARG B 37 -6.678 1.695 5.740 1.00 43.25 H new ATOM 0 HD2 ARG B 37 -8.800 2.183 7.110 1.00 61.41 H new ATOM 0 HD3 ARG B 37 -7.857 1.849 8.548 1.00 61.41 H new ATOM 0 HE ARG B 37 -6.377 3.773 7.913 1.00 50.23 H new ATOM 0 HH11 ARG B 37 -9.474 3.555 6.266 1.00 11.23 H new ATOM 0 HH12 ARG B 37 -9.603 5.307 6.080 1.00 11.23 H new ATOM 0 HH21 ARG B 37 -6.624 5.966 7.734 1.00 1.41 H new ATOM 0 HH22 ARG B 37 -8.024 6.641 6.893 1.00 1.41 H new ATOM 1613 N GLU B 38 -8.332 -2.714 4.633 1.00 55.24 N ATOM 1614 CA GLU B 38 -9.219 -3.893 4.487 1.00 14.33 C ATOM 1615 C GLU B 38 -8.416 -5.109 3.988 1.00 54.51 C ATOM 1616 O GLU B 38 -8.566 -6.228 4.491 1.00 63.52 O ATOM 1617 CB GLU B 38 -10.384 -3.578 3.502 1.00 22.15 C ATOM 1618 CG GLU B 38 -11.240 -2.352 3.881 1.00 22.02 C ATOM 1619 CD GLU B 38 -11.911 -2.464 5.261 1.00 50.11 C ATOM 1620 OE1 GLU B 38 -12.957 -3.138 5.370 1.00 23.12 O ATOM 1621 OE2 GLU B 38 -11.397 -1.880 6.244 1.00 2.20 O ATOM 0 H GLU B 38 -8.367 -2.076 3.838 1.00 55.24 H new ATOM 0 HA GLU B 38 -9.642 -4.130 5.463 1.00 14.33 H new ATOM 0 HB2 GLU B 38 -9.967 -3.419 2.508 1.00 22.15 H new ATOM 0 HB3 GLU B 38 -11.033 -4.451 3.439 1.00 22.15 H new ATOM 0 HG2 GLU B 38 -10.610 -1.462 3.865 1.00 22.02 H new ATOM 0 HG3 GLU B 38 -12.011 -2.211 3.123 1.00 22.02 H new ATOM 1628 N LEU B 39 -7.543 -4.849 3.000 1.00 71.20 N ATOM 1629 CA LEU B 39 -6.717 -5.883 2.346 1.00 3.53 C ATOM 1630 C LEU B 39 -5.500 -6.285 3.209 1.00 55.22 C ATOM 1631 O LEU B 39 -4.870 -7.321 2.959 1.00 13.32 O ATOM 1632 CB LEU B 39 -6.254 -5.377 0.959 1.00 22.44 C ATOM 1633 CG LEU B 39 -7.384 -5.076 -0.082 1.00 34.14 C ATOM 1634 CD1 LEU B 39 -6.787 -4.595 -1.425 1.00 34.23 C ATOM 1635 CD2 LEU B 39 -8.315 -6.298 -0.281 1.00 20.33 C ATOM 0 H LEU B 39 -7.388 -3.911 2.629 1.00 71.20 H new ATOM 0 HA LEU B 39 -7.330 -6.776 2.224 1.00 3.53 H new ATOM 0 HB2 LEU B 39 -5.671 -4.467 1.104 1.00 22.44 H new ATOM 0 HB3 LEU B 39 -5.583 -6.121 0.530 1.00 22.44 H new ATOM 0 HG LEU B 39 -7.996 -4.267 0.319 1.00 34.14 H new ATOM 0 HD11 LEU B 39 -7.593 -4.393 -2.130 1.00 34.23 H new ATOM 0 HD12 LEU B 39 -6.211 -3.684 -1.262 1.00 34.23 H new ATOM 0 HD13 LEU B 39 -6.135 -5.368 -1.831 1.00 34.23 H new ATOM 0 HD21 LEU B 39 -9.087 -6.052 -1.010 1.00 20.33 H new ATOM 0 HD22 LEU B 39 -7.731 -7.145 -0.642 1.00 20.33 H new ATOM 0 HD23 LEU B 39 -8.782 -6.558 0.669 1.00 20.33 H new ATOM 1647 N VAL B 40 -5.173 -5.446 4.217 1.00 75.53 N ATOM 1648 CA VAL B 40 -4.118 -5.734 5.217 1.00 34.01 C ATOM 1649 C VAL B 40 -4.753 -6.165 6.573 1.00 34.40 C ATOM 1650 O VAL B 40 -5.169 -5.311 7.365 1.00 52.03 O ATOM 1651 CB VAL B 40 -3.173 -4.483 5.446 1.00 41.51 C ATOM 1652 CG1 VAL B 40 -2.000 -4.811 6.406 1.00 51.35 C ATOM 1653 CG2 VAL B 40 -2.663 -3.923 4.098 1.00 2.51 C ATOM 0 H VAL B 40 -5.634 -4.548 4.361 1.00 75.53 H new ATOM 0 HA VAL B 40 -3.513 -6.551 4.824 1.00 34.01 H new ATOM 0 HB VAL B 40 -3.768 -3.707 5.928 1.00 41.51 H new ATOM 0 HG11 VAL B 40 -1.377 -3.926 6.535 1.00 51.35 H new ATOM 0 HG12 VAL B 40 -2.397 -5.120 7.373 1.00 51.35 H new ATOM 0 HG13 VAL B 40 -1.400 -5.618 5.985 1.00 51.35 H new ATOM 0 HG21 VAL B 40 -2.016 -3.065 4.282 1.00 2.51 H new ATOM 0 HG22 VAL B 40 -2.101 -4.695 3.573 1.00 2.51 H new ATOM 0 HG23 VAL B 40 -3.512 -3.614 3.488 1.00 2.51 H new ATOM 1663 N PRO B 41 -4.873 -7.510 6.851 1.00 13.33 N ATOM 1664 CA PRO B 41 -5.288 -8.018 8.188 1.00 62.12 C ATOM 1665 C PRO B 41 -4.143 -7.941 9.238 1.00 65.51 C ATOM 1666 O PRO B 41 -4.346 -8.271 10.408 1.00 35.32 O ATOM 1667 CB PRO B 41 -5.701 -9.479 7.885 1.00 62.41 C ATOM 1668 CG PRO B 41 -4.818 -9.877 6.741 1.00 73.32 C ATOM 1669 CD PRO B 41 -4.657 -8.633 5.892 1.00 1.43 C ATOM 0 HA PRO B 41 -6.087 -7.427 8.635 1.00 62.12 H new ATOM 0 HB2 PRO B 41 -5.548 -10.124 8.750 1.00 62.41 H new ATOM 0 HB3 PRO B 41 -6.755 -9.548 7.618 1.00 62.41 H new ATOM 0 HG2 PRO B 41 -3.852 -10.234 7.098 1.00 73.32 H new ATOM 0 HG3 PRO B 41 -5.265 -10.688 6.166 1.00 73.32 H new ATOM 0 HD2 PRO B 41 -3.667 -8.585 5.438 1.00 1.43 H new ATOM 0 HD3 PRO B 41 -5.382 -8.608 5.079 1.00 1.43 H new ATOM 1677 N GLY B 42 -2.943 -7.502 8.788 1.00 62.44 N ATOM 1678 CA GLY B 42 -1.795 -7.260 9.677 1.00 63.35 C ATOM 1679 C GLY B 42 -1.908 -5.969 10.497 1.00 63.20 C ATOM 1680 O GLY B 42 -1.038 -5.690 11.331 1.00 62.45 O ATOM 0 H GLY B 42 -2.750 -7.309 7.805 1.00 62.44 H new ATOM 0 HA2 GLY B 42 -1.691 -8.104 10.359 1.00 63.35 H new ATOM 0 HA3 GLY B 42 -0.885 -7.220 9.078 1.00 63.35 H new ATOM 1684 N VAL B 43 -2.969 -5.165 10.243 1.00 74.21 N ATOM 1685 CA VAL B 43 -3.304 -3.992 11.079 1.00 0.41 C ATOM 1686 C VAL B 43 -4.037 -4.451 12.373 1.00 0.04 C ATOM 1687 O VAL B 43 -5.075 -5.121 12.280 1.00 0.53 O ATOM 1688 CB VAL B 43 -4.228 -2.945 10.335 1.00 31.22 C ATOM 1689 CG1 VAL B 43 -4.417 -1.663 11.192 1.00 73.41 C ATOM 1690 CG2 VAL B 43 -3.697 -2.600 8.924 1.00 73.24 C ATOM 0 H VAL B 43 -3.608 -5.311 9.462 1.00 74.21 H new ATOM 0 HA VAL B 43 -2.357 -3.505 11.312 1.00 0.41 H new ATOM 0 HB VAL B 43 -5.203 -3.413 10.202 1.00 31.22 H new ATOM 0 HG11 VAL B 43 -5.056 -0.959 10.658 1.00 73.41 H new ATOM 0 HG12 VAL B 43 -4.881 -1.926 12.142 1.00 73.41 H new ATOM 0 HG13 VAL B 43 -3.446 -1.203 11.377 1.00 73.41 H new ATOM 0 HG21 VAL B 43 -4.363 -1.878 8.451 1.00 73.24 H new ATOM 0 HG22 VAL B 43 -2.698 -2.173 9.006 1.00 73.24 H new ATOM 0 HG23 VAL B 43 -3.656 -3.506 8.319 1.00 73.24 H new ATOM 1700 N PRO B 44 -3.515 -4.128 13.599 1.00 64.12 N ATOM 1701 CA PRO B 44 -4.280 -4.340 14.842 1.00 14.22 C ATOM 1702 C PRO B 44 -5.442 -3.310 14.946 1.00 14.45 C ATOM 1703 O PRO B 44 -5.204 -2.109 15.094 1.00 22.24 O ATOM 1704 CB PRO B 44 -3.222 -4.203 15.970 1.00 14.33 C ATOM 1705 CG PRO B 44 -2.053 -3.464 15.368 1.00 44.20 C ATOM 1706 CD PRO B 44 -2.159 -3.571 13.853 1.00 13.32 C ATOM 0 HA PRO B 44 -4.773 -5.311 14.896 1.00 14.22 H new ATOM 0 HB2 PRO B 44 -3.630 -3.658 16.821 1.00 14.33 H new ATOM 0 HB3 PRO B 44 -2.915 -5.183 16.336 1.00 14.33 H new ATOM 0 HG2 PRO B 44 -2.062 -2.419 15.678 1.00 44.20 H new ATOM 0 HG3 PRO B 44 -1.112 -3.891 15.715 1.00 44.20 H new ATOM 0 HD2 PRO B 44 -2.038 -2.597 13.379 1.00 13.32 H new ATOM 0 HD3 PRO B 44 -1.383 -4.221 13.448 1.00 13.32 H new ATOM 1714 N ARG B 45 -6.695 -3.800 14.813 1.00 73.00 N ATOM 1715 CA ARG B 45 -7.906 -2.943 14.673 1.00 51.41 C ATOM 1716 C ARG B 45 -8.157 -2.113 15.975 1.00 43.00 C ATOM 1717 O ARG B 45 -8.837 -2.567 16.898 1.00 22.42 O ATOM 1718 CB ARG B 45 -9.146 -3.841 14.294 1.00 63.31 C ATOM 1719 CG ARG B 45 -10.118 -3.250 13.235 1.00 62.01 C ATOM 1720 CD ARG B 45 -10.796 -1.936 13.673 1.00 10.41 C ATOM 1721 NE ARG B 45 -11.650 -1.379 12.612 1.00 72.41 N ATOM 1722 CZ ARG B 45 -12.235 -0.200 12.638 1.00 25.12 C ATOM 1723 NH1 ARG B 45 -12.143 0.583 13.669 1.00 72.53 N ATOM 1724 NH2 ARG B 45 -12.938 0.179 11.623 1.00 51.50 N ATOM 0 H ARG B 45 -6.901 -4.799 14.799 1.00 73.00 H new ATOM 0 HA ARG B 45 -7.749 -2.224 13.869 1.00 51.41 H new ATOM 0 HB2 ARG B 45 -8.777 -4.798 13.925 1.00 63.31 H new ATOM 0 HB3 ARG B 45 -9.712 -4.046 15.203 1.00 63.31 H new ATOM 0 HG2 ARG B 45 -9.568 -3.073 12.310 1.00 62.01 H new ATOM 0 HG3 ARG B 45 -10.888 -3.988 13.012 1.00 62.01 H new ATOM 0 HD2 ARG B 45 -11.396 -2.117 14.565 1.00 10.41 H new ATOM 0 HD3 ARG B 45 -10.033 -1.207 13.945 1.00 10.41 H new ATOM 0 HE ARG B 45 -11.802 -1.956 11.785 1.00 72.41 H new ATOM 0 HH11 ARG B 45 -11.607 0.290 14.486 1.00 72.53 H new ATOM 0 HH12 ARG B 45 -12.606 1.492 13.662 1.00 72.53 H new ATOM 0 HH21 ARG B 45 -13.035 -0.433 10.813 1.00 51.50 H new ATOM 0 HH22 ARG B 45 -13.396 1.090 11.632 1.00 51.50 H new ATOM 1738 N GLY B 46 -7.583 -0.893 16.011 1.00 53.33 N ATOM 1739 CA GLY B 46 -7.621 -0.009 17.198 1.00 34.42 C ATOM 1740 C GLY B 46 -6.229 0.484 17.632 1.00 0.15 C ATOM 1741 O GLY B 46 -6.038 0.891 18.784 1.00 3.50 O ATOM 0 H GLY B 46 -7.080 -0.492 15.220 1.00 53.33 H new ATOM 0 HA2 GLY B 46 -8.253 0.852 16.981 1.00 34.42 H new ATOM 0 HA3 GLY B 46 -8.084 -0.544 18.027 1.00 34.42 H new ATOM 1745 N THR B 47 -5.255 0.445 16.701 1.00 32.12 N ATOM 1746 CA THR B 47 -3.849 0.871 16.956 1.00 10.33 C ATOM 1747 C THR B 47 -3.634 2.392 16.712 1.00 43.43 C ATOM 1748 O THR B 47 -2.637 2.957 17.169 1.00 31.41 O ATOM 1749 CB THR B 47 -2.856 0.061 16.058 1.00 32.15 C ATOM 1750 OG1 THR B 47 -1.496 0.439 16.334 1.00 11.23 O ATOM 1751 CG2 THR B 47 -3.141 0.241 14.559 1.00 35.21 C ATOM 0 H THR B 47 -5.413 0.118 15.748 1.00 32.12 H new ATOM 0 HA THR B 47 -3.650 0.667 18.008 1.00 10.33 H new ATOM 0 HB THR B 47 -3.003 -0.991 16.304 1.00 32.15 H new ATOM 0 HG1 THR B 47 -1.485 1.295 16.811 1.00 11.23 H new ATOM 0 HG21 THR B 47 -2.424 -0.341 13.980 1.00 35.21 H new ATOM 0 HG22 THR B 47 -4.151 -0.102 14.337 1.00 35.21 H new ATOM 0 HG23 THR B 47 -3.050 1.295 14.295 1.00 35.21 H new ATOM 1759 N GLN B 48 -4.578 3.030 15.985 1.00 41.53 N ATOM 1760 CA GLN B 48 -4.540 4.478 15.642 1.00 30.31 C ATOM 1761 C GLN B 48 -3.297 4.842 14.774 1.00 21.31 C ATOM 1762 O GLN B 48 -2.287 5.344 15.285 1.00 72.31 O ATOM 1763 CB GLN B 48 -4.624 5.379 16.923 1.00 33.34 C ATOM 1764 CG GLN B 48 -5.889 5.157 17.783 1.00 74.14 C ATOM 1765 CD GLN B 48 -5.921 6.020 19.054 1.00 31.12 C ATOM 1766 OE1 GLN B 48 -6.431 7.136 19.054 1.00 53.43 O ATOM 1767 NE2 GLN B 48 -5.376 5.514 20.145 1.00 4.14 N ATOM 0 H GLN B 48 -5.399 2.553 15.613 1.00 41.53 H new ATOM 0 HA GLN B 48 -5.424 4.681 15.038 1.00 30.31 H new ATOM 0 HB2 GLN B 48 -3.744 5.194 17.540 1.00 33.34 H new ATOM 0 HB3 GLN B 48 -4.586 6.425 16.619 1.00 33.34 H new ATOM 0 HG2 GLN B 48 -6.771 5.376 17.182 1.00 74.14 H new ATOM 0 HG3 GLN B 48 -5.948 4.106 18.065 1.00 74.14 H new ATOM 0 HE21 GLN B 48 -4.958 4.584 20.122 1.00 4.14 H new ATOM 0 HE22 GLN B 48 -5.373 6.053 21.011 1.00 4.14 H new ATOM 1776 N LEU B 49 -3.370 4.542 13.463 1.00 22.00 N ATOM 1777 CA LEU B 49 -2.306 4.890 12.479 1.00 42.14 C ATOM 1778 C LEU B 49 -2.705 6.133 11.651 1.00 4.11 C ATOM 1779 O LEU B 49 -3.882 6.300 11.303 1.00 11.42 O ATOM 1780 CB LEU B 49 -2.033 3.699 11.509 1.00 32.44 C ATOM 1781 CG LEU B 49 -1.595 2.344 12.156 1.00 54.50 C ATOM 1782 CD1 LEU B 49 -1.293 1.272 11.078 1.00 13.22 C ATOM 1783 CD2 LEU B 49 -0.398 2.518 13.130 1.00 63.23 C ATOM 0 H LEU B 49 -4.163 4.053 13.049 1.00 22.00 H new ATOM 0 HA LEU B 49 -1.400 5.109 13.044 1.00 42.14 H new ATOM 0 HB2 LEU B 49 -2.938 3.520 10.928 1.00 32.44 H new ATOM 0 HB3 LEU B 49 -1.258 4.005 10.806 1.00 32.44 H new ATOM 0 HG LEU B 49 -2.439 1.991 12.749 1.00 54.50 H new ATOM 0 HD11 LEU B 49 -0.992 0.343 11.563 1.00 13.22 H new ATOM 0 HD12 LEU B 49 -2.187 1.096 10.480 1.00 13.22 H new ATOM 0 HD13 LEU B 49 -0.488 1.622 10.432 1.00 13.22 H new ATOM 0 HD21 LEU B 49 -0.130 1.550 13.554 1.00 63.23 H new ATOM 0 HD22 LEU B 49 0.456 2.925 12.588 1.00 63.23 H new ATOM 0 HD23 LEU B 49 -0.678 3.201 13.932 1.00 63.23 H new ATOM 1795 N SER B 50 -1.720 6.995 11.341 1.00 51.40 N ATOM 1796 CA SER B 50 -1.891 8.095 10.352 1.00 41.42 C ATOM 1797 C SER B 50 -1.627 7.569 8.917 1.00 4.42 C ATOM 1798 O SER B 50 -1.230 6.410 8.742 1.00 44.43 O ATOM 1799 CB SER B 50 -0.945 9.286 10.683 1.00 72.40 C ATOM 1800 OG SER B 50 -1.097 10.372 9.771 1.00 65.22 O ATOM 0 H SER B 50 -0.790 6.957 11.759 1.00 51.40 H new ATOM 0 HA SER B 50 -2.918 8.455 10.408 1.00 41.42 H new ATOM 0 HB2 SER B 50 -1.146 9.635 11.696 1.00 72.40 H new ATOM 0 HB3 SER B 50 0.089 8.941 10.664 1.00 72.40 H new ATOM 0 HG SER B 50 -0.485 11.096 10.019 1.00 65.22 H new ATOM 1806 N GLN B 51 -1.838 8.444 7.912 1.00 0.24 N ATOM 1807 CA GLN B 51 -1.633 8.141 6.467 1.00 44.11 C ATOM 1808 C GLN B 51 -0.257 7.474 6.174 1.00 52.14 C ATOM 1809 O GLN B 51 -0.153 6.578 5.330 1.00 21.31 O ATOM 1810 CB GLN B 51 -1.749 9.459 5.652 1.00 75.15 C ATOM 1811 CG GLN B 51 -3.106 10.190 5.778 1.00 11.12 C ATOM 1812 CD GLN B 51 -3.138 11.540 5.037 1.00 25.00 C ATOM 1813 OE1 GLN B 51 -2.828 12.583 5.603 1.00 74.55 O ATOM 1814 NE2 GLN B 51 -3.498 11.527 3.766 1.00 25.15 N ATOM 0 H GLN B 51 -2.161 9.398 8.077 1.00 0.24 H new ATOM 0 HA GLN B 51 -2.402 7.427 6.173 1.00 44.11 H new ATOM 0 HB2 GLN B 51 -0.958 10.137 5.972 1.00 75.15 H new ATOM 0 HB3 GLN B 51 -1.571 9.235 4.600 1.00 75.15 H new ATOM 0 HG2 GLN B 51 -3.895 9.548 5.386 1.00 11.12 H new ATOM 0 HG3 GLN B 51 -3.325 10.356 6.833 1.00 11.12 H new ATOM 0 HE21 GLN B 51 -3.752 10.647 3.317 1.00 25.15 H new ATOM 0 HE22 GLN B 51 -3.522 12.397 3.234 1.00 25.15 H new ATOM 1823 N VAL B 52 0.781 7.929 6.895 1.00 63.12 N ATOM 1824 CA VAL B 52 2.164 7.426 6.740 1.00 3.05 C ATOM 1825 C VAL B 52 2.324 5.992 7.315 1.00 44.23 C ATOM 1826 O VAL B 52 2.895 5.116 6.658 1.00 44.13 O ATOM 1827 CB VAL B 52 3.192 8.397 7.433 1.00 64.30 C ATOM 1828 CG1 VAL B 52 4.649 7.981 7.134 1.00 71.22 C ATOM 1829 CG2 VAL B 52 2.937 9.856 7.008 1.00 31.11 C ATOM 0 H VAL B 52 0.689 8.657 7.604 1.00 63.12 H new ATOM 0 HA VAL B 52 2.373 7.387 5.671 1.00 3.05 H new ATOM 0 HB VAL B 52 3.044 8.325 8.510 1.00 64.30 H new ATOM 0 HG11 VAL B 52 5.333 8.672 7.627 1.00 71.22 H new ATOM 0 HG12 VAL B 52 4.823 6.971 7.506 1.00 71.22 H new ATOM 0 HG13 VAL B 52 4.821 8.006 6.058 1.00 71.22 H new ATOM 0 HG21 VAL B 52 3.659 10.509 7.499 1.00 31.11 H new ATOM 0 HG22 VAL B 52 3.044 9.944 5.927 1.00 31.11 H new ATOM 0 HG23 VAL B 52 1.928 10.148 7.297 1.00 31.11 H new ATOM 1839 N GLU B 53 1.811 5.770 8.545 1.00 21.24 N ATOM 1840 CA GLU B 53 1.897 4.455 9.239 1.00 10.40 C ATOM 1841 C GLU B 53 1.056 3.368 8.535 1.00 63.10 C ATOM 1842 O GLU B 53 1.342 2.178 8.681 1.00 54.23 O ATOM 1843 CB GLU B 53 1.490 4.553 10.734 1.00 14.11 C ATOM 1844 CG GLU B 53 2.366 5.475 11.615 1.00 11.11 C ATOM 1845 CD GLU B 53 1.956 6.956 11.558 1.00 61.35 C ATOM 1846 OE1 GLU B 53 2.411 7.682 10.652 1.00 74.43 O ATOM 1847 OE2 GLU B 53 1.165 7.393 12.418 1.00 73.25 O ATOM 0 H GLU B 53 1.328 6.488 9.086 1.00 21.24 H new ATOM 0 HA GLU B 53 2.946 4.161 9.189 1.00 10.40 H new ATOM 0 HB2 GLU B 53 0.459 4.904 10.787 1.00 14.11 H new ATOM 0 HB3 GLU B 53 1.508 3.551 11.162 1.00 14.11 H new ATOM 0 HG2 GLU B 53 2.314 5.132 12.648 1.00 11.11 H new ATOM 0 HG3 GLU B 53 3.406 5.383 11.301 1.00 11.11 H new ATOM 1854 N ILE B 54 -0.003 3.791 7.812 1.00 75.03 N ATOM 1855 CA ILE B 54 -0.751 2.906 6.891 1.00 4.41 C ATOM 1856 C ILE B 54 0.215 2.305 5.843 1.00 3.24 C ATOM 1857 O ILE B 54 0.282 1.093 5.685 1.00 61.33 O ATOM 1858 CB ILE B 54 -1.928 3.676 6.165 1.00 54.24 C ATOM 1859 CG1 ILE B 54 -3.039 4.093 7.187 1.00 62.43 C ATOM 1860 CG2 ILE B 54 -2.533 2.847 4.994 1.00 23.55 C ATOM 1861 CD1 ILE B 54 -4.167 4.923 6.591 1.00 21.22 C ATOM 0 H ILE B 54 -0.361 4.745 7.849 1.00 75.03 H new ATOM 0 HA ILE B 54 -1.195 2.105 7.482 1.00 4.41 H new ATOM 0 HB ILE B 54 -1.502 4.581 5.733 1.00 54.24 H new ATOM 0 HG12 ILE B 54 -3.463 3.192 7.630 1.00 62.43 H new ATOM 0 HG13 ILE B 54 -2.577 4.659 7.996 1.00 62.43 H new ATOM 0 HG21 ILE B 54 -3.337 3.414 4.524 1.00 23.55 H new ATOM 0 HG22 ILE B 54 -1.757 2.639 4.257 1.00 23.55 H new ATOM 0 HG23 ILE B 54 -2.929 1.907 5.380 1.00 23.55 H new ATOM 0 HD11 ILE B 54 -4.890 5.166 7.369 1.00 21.22 H new ATOM 0 HD12 ILE B 54 -3.760 5.844 6.173 1.00 21.22 H new ATOM 0 HD13 ILE B 54 -4.660 4.354 5.803 1.00 21.22 H new ATOM 1873 N LEU B 55 0.990 3.183 5.180 1.00 30.33 N ATOM 1874 CA LEU B 55 1.974 2.792 4.141 1.00 53.05 C ATOM 1875 C LEU B 55 3.056 1.852 4.699 1.00 12.52 C ATOM 1876 O LEU B 55 3.420 0.874 4.053 1.00 12.34 O ATOM 1877 CB LEU B 55 2.639 4.052 3.541 1.00 55.33 C ATOM 1878 CG LEU B 55 1.664 5.096 2.936 1.00 41.33 C ATOM 1879 CD1 LEU B 55 2.421 6.340 2.441 1.00 62.32 C ATOM 1880 CD2 LEU B 55 0.806 4.469 1.818 1.00 62.20 C ATOM 0 H LEU B 55 0.955 4.189 5.347 1.00 30.33 H new ATOM 0 HA LEU B 55 1.432 2.254 3.363 1.00 53.05 H new ATOM 0 HB2 LEU B 55 3.227 4.538 4.320 1.00 55.33 H new ATOM 0 HB3 LEU B 55 3.337 3.739 2.764 1.00 55.33 H new ATOM 0 HG LEU B 55 0.986 5.421 3.725 1.00 41.33 H new ATOM 0 HD11 LEU B 55 1.712 7.054 2.022 1.00 62.32 H new ATOM 0 HD12 LEU B 55 2.950 6.800 3.276 1.00 62.32 H new ATOM 0 HD13 LEU B 55 3.138 6.048 1.674 1.00 62.32 H new ATOM 0 HD21 LEU B 55 0.131 5.222 1.411 1.00 62.20 H new ATOM 0 HD22 LEU B 55 1.456 4.098 1.025 1.00 62.20 H new ATOM 0 HD23 LEU B 55 0.224 3.643 2.226 1.00 62.20 H new ATOM 1892 N GLN B 56 3.550 2.172 5.908 1.00 34.11 N ATOM 1893 CA GLN B 56 4.539 1.346 6.628 1.00 74.30 C ATOM 1894 C GLN B 56 3.983 -0.071 6.895 1.00 14.43 C ATOM 1895 O GLN B 56 4.665 -1.062 6.648 1.00 24.12 O ATOM 1896 CB GLN B 56 4.932 2.024 7.965 1.00 45.14 C ATOM 1897 CG GLN B 56 5.591 3.409 7.801 1.00 21.02 C ATOM 1898 CD GLN B 56 5.958 4.078 9.131 1.00 43.33 C ATOM 1899 OE1 GLN B 56 6.260 3.415 10.119 1.00 74.44 O ATOM 1900 NE2 GLN B 56 5.936 5.394 9.165 1.00 43.33 N ATOM 0 H GLN B 56 3.275 3.013 6.416 1.00 34.11 H new ATOM 0 HA GLN B 56 5.426 1.254 6.002 1.00 74.30 H new ATOM 0 HB2 GLN B 56 4.040 2.129 8.582 1.00 45.14 H new ATOM 0 HB3 GLN B 56 5.617 1.369 8.504 1.00 45.14 H new ATOM 0 HG2 GLN B 56 6.492 3.304 7.197 1.00 21.02 H new ATOM 0 HG3 GLN B 56 4.913 4.062 7.251 1.00 21.02 H new ATOM 0 HE21 GLN B 56 5.682 5.922 8.330 1.00 43.33 H new ATOM 0 HE22 GLN B 56 6.173 5.886 10.026 1.00 43.33 H new ATOM 1909 N ARG B 57 2.718 -0.132 7.365 1.00 53.22 N ATOM 1910 CA ARG B 57 2.022 -1.401 7.680 1.00 32.34 C ATOM 1911 C ARG B 57 1.762 -2.239 6.401 1.00 40.30 C ATOM 1912 O ARG B 57 1.790 -3.472 6.442 1.00 1.41 O ATOM 1913 CB ARG B 57 0.679 -1.105 8.408 1.00 3.44 C ATOM 1914 CG ARG B 57 -0.017 -2.339 9.049 1.00 13.22 C ATOM 1915 CD ARG B 57 0.522 -2.723 10.446 1.00 60.40 C ATOM 1916 NE ARG B 57 1.944 -3.122 10.453 1.00 11.23 N ATOM 1917 CZ ARG B 57 2.455 -4.104 11.165 1.00 52.40 C ATOM 1918 NH1 ARG B 57 1.705 -4.916 11.839 1.00 24.23 N ATOM 1919 NH2 ARG B 57 3.730 -4.274 11.184 1.00 22.14 N ATOM 0 H ARG B 57 2.149 0.697 7.537 1.00 53.22 H new ATOM 0 HA ARG B 57 2.668 -1.985 8.336 1.00 32.34 H new ATOM 0 HB2 ARG B 57 0.863 -0.367 9.188 1.00 3.44 H new ATOM 0 HB3 ARG B 57 -0.009 -0.650 7.695 1.00 3.44 H new ATOM 0 HG2 ARG B 57 -1.085 -2.138 9.128 1.00 13.22 H new ATOM 0 HG3 ARG B 57 0.098 -3.193 8.381 1.00 13.22 H new ATOM 0 HD2 ARG B 57 0.389 -1.877 11.120 1.00 60.40 H new ATOM 0 HD3 ARG B 57 -0.077 -3.543 10.842 1.00 60.40 H new ATOM 0 HE ARG B 57 2.582 -2.594 9.858 1.00 11.23 H new ATOM 0 HH11 ARG B 57 0.691 -4.803 11.827 1.00 24.23 H new ATOM 0 HH12 ARG B 57 2.128 -5.669 12.382 1.00 24.23 H new ATOM 0 HH21 ARG B 57 4.336 -3.651 10.650 1.00 22.14 H new ATOM 0 HH22 ARG B 57 4.135 -5.032 11.733 1.00 22.14 H new ATOM 1933 N VAL B 58 1.495 -1.540 5.277 1.00 54.40 N ATOM 1934 CA VAL B 58 1.355 -2.164 3.946 1.00 25.02 C ATOM 1935 C VAL B 58 2.698 -2.786 3.490 1.00 34.21 C ATOM 1936 O VAL B 58 2.711 -3.891 2.961 1.00 72.31 O ATOM 1937 CB VAL B 58 0.819 -1.135 2.866 1.00 13.21 C ATOM 1938 CG1 VAL B 58 0.860 -1.726 1.436 1.00 51.35 C ATOM 1939 CG2 VAL B 58 -0.620 -0.662 3.208 1.00 31.24 C ATOM 0 H VAL B 58 1.371 -0.528 5.268 1.00 54.40 H new ATOM 0 HA VAL B 58 0.615 -2.959 4.034 1.00 25.02 H new ATOM 0 HB VAL B 58 1.486 -0.273 2.892 1.00 13.21 H new ATOM 0 HG11 VAL B 58 0.484 -0.989 0.727 1.00 51.35 H new ATOM 0 HG12 VAL B 58 1.887 -1.986 1.179 1.00 51.35 H new ATOM 0 HG13 VAL B 58 0.238 -2.620 1.394 1.00 51.35 H new ATOM 0 HG21 VAL B 58 -0.961 0.043 2.450 1.00 31.24 H new ATOM 0 HG22 VAL B 58 -1.290 -1.522 3.232 1.00 31.24 H new ATOM 0 HG23 VAL B 58 -0.621 -0.175 4.183 1.00 31.24 H new ATOM 1949 N ILE B 59 3.824 -2.074 3.723 1.00 30.51 N ATOM 1950 CA ILE B 59 5.183 -2.600 3.427 1.00 35.32 C ATOM 1951 C ILE B 59 5.457 -3.892 4.251 1.00 31.24 C ATOM 1952 O ILE B 59 5.864 -4.901 3.689 1.00 62.01 O ATOM 1953 CB ILE B 59 6.303 -1.514 3.699 1.00 0.14 C ATOM 1954 CG1 ILE B 59 6.112 -0.271 2.764 1.00 22.32 C ATOM 1955 CG2 ILE B 59 7.734 -2.100 3.535 1.00 25.42 C ATOM 1956 CD1 ILE B 59 7.092 0.868 3.001 1.00 24.33 C ATOM 0 H ILE B 59 3.822 -1.133 4.115 1.00 30.51 H new ATOM 0 HA ILE B 59 5.219 -2.847 2.366 1.00 35.32 H new ATOM 0 HB ILE B 59 6.195 -1.194 4.735 1.00 0.14 H new ATOM 0 HG12 ILE B 59 6.201 -0.597 1.728 1.00 22.32 H new ATOM 0 HG13 ILE B 59 5.098 0.109 2.892 1.00 22.32 H new ATOM 0 HG21 ILE B 59 8.471 -1.321 3.731 1.00 25.42 H new ATOM 0 HG22 ILE B 59 7.875 -2.918 4.241 1.00 25.42 H new ATOM 0 HG23 ILE B 59 7.861 -2.472 2.518 1.00 25.42 H new ATOM 0 HD11 ILE B 59 6.880 1.681 2.307 1.00 24.33 H new ATOM 0 HD12 ILE B 59 6.990 1.229 4.024 1.00 24.33 H new ATOM 0 HD13 ILE B 59 8.110 0.511 2.842 1.00 24.33 H new ATOM 1968 N ASP B 60 5.168 -3.847 5.574 1.00 34.01 N ATOM 1969 CA ASP B 60 5.318 -5.016 6.492 1.00 10.53 C ATOM 1970 C ASP B 60 4.483 -6.233 6.015 1.00 43.04 C ATOM 1971 O ASP B 60 4.937 -7.381 6.074 1.00 52.44 O ATOM 1972 CB ASP B 60 4.882 -4.638 7.937 1.00 22.34 C ATOM 1973 CG ASP B 60 5.621 -3.421 8.518 1.00 51.32 C ATOM 1974 OD1 ASP B 60 6.855 -3.321 8.352 1.00 52.42 O ATOM 1975 OD2 ASP B 60 4.973 -2.566 9.165 1.00 64.43 O ATOM 0 H ASP B 60 4.826 -3.006 6.039 1.00 34.01 H new ATOM 0 HA ASP B 60 6.372 -5.292 6.484 1.00 10.53 H new ATOM 0 HB2 ASP B 60 3.811 -4.435 7.940 1.00 22.34 H new ATOM 0 HB3 ASP B 60 5.046 -5.495 8.590 1.00 22.34 H new ATOM 1980 N TYR B 61 3.251 -5.936 5.566 1.00 13.32 N ATOM 1981 CA TYR B 61 2.302 -6.922 5.004 1.00 20.14 C ATOM 1982 C TYR B 61 2.876 -7.615 3.745 1.00 45.01 C ATOM 1983 O TYR B 61 2.871 -8.842 3.645 1.00 35.41 O ATOM 1984 CB TYR B 61 0.966 -6.202 4.657 1.00 72.41 C ATOM 1985 CG TYR B 61 -0.043 -7.053 3.868 1.00 43.31 C ATOM 1986 CD1 TYR B 61 -0.829 -8.015 4.505 1.00 52.13 C ATOM 1987 CD2 TYR B 61 -0.198 -6.904 2.482 1.00 55.14 C ATOM 1988 CE1 TYR B 61 -1.723 -8.787 3.799 1.00 60.43 C ATOM 1989 CE2 TYR B 61 -1.094 -7.677 1.781 1.00 53.51 C ATOM 1990 CZ TYR B 61 -1.851 -8.617 2.443 1.00 75.20 C ATOM 1991 OH TYR B 61 -2.752 -9.390 1.746 1.00 2.23 O ATOM 0 H TYR B 61 2.877 -4.987 5.582 1.00 13.32 H new ATOM 0 HA TYR B 61 2.127 -7.697 5.751 1.00 20.14 H new ATOM 0 HB2 TYR B 61 0.496 -5.874 5.584 1.00 72.41 H new ATOM 0 HB3 TYR B 61 1.193 -5.306 4.080 1.00 72.41 H new ATOM 0 HD1 TYR B 61 -0.734 -8.156 5.572 1.00 52.13 H new ATOM 0 HD2 TYR B 61 0.396 -6.171 1.957 1.00 55.14 H new ATOM 0 HE1 TYR B 61 -2.323 -9.525 4.311 1.00 60.43 H new ATOM 0 HE2 TYR B 61 -1.203 -7.547 0.714 1.00 53.51 H new ATOM 0 HH TYR B 61 -3.030 -10.149 2.301 1.00 2.23 H new ATOM 2001 N ILE B 62 3.353 -6.797 2.791 1.00 54.03 N ATOM 2002 CA ILE B 62 3.919 -7.280 1.516 1.00 64.24 C ATOM 2003 C ILE B 62 5.168 -8.159 1.776 1.00 64.13 C ATOM 2004 O ILE B 62 5.262 -9.259 1.251 1.00 21.54 O ATOM 2005 CB ILE B 62 4.266 -6.072 0.551 1.00 34.50 C ATOM 2006 CG1 ILE B 62 2.971 -5.271 0.161 1.00 62.32 C ATOM 2007 CG2 ILE B 62 5.013 -6.555 -0.716 1.00 31.51 C ATOM 2008 CD1 ILE B 62 3.214 -4.016 -0.675 1.00 34.54 C ATOM 0 H ILE B 62 3.358 -5.781 2.881 1.00 54.03 H new ATOM 0 HA ILE B 62 3.166 -7.893 1.020 1.00 64.24 H new ATOM 0 HB ILE B 62 4.931 -5.401 1.094 1.00 34.50 H new ATOM 0 HG12 ILE B 62 2.305 -5.934 -0.392 1.00 62.32 H new ATOM 0 HG13 ILE B 62 2.450 -4.985 1.075 1.00 62.32 H new ATOM 0 HG21 ILE B 62 5.235 -5.701 -1.355 1.00 31.51 H new ATOM 0 HG22 ILE B 62 5.944 -7.043 -0.426 1.00 31.51 H new ATOM 0 HG23 ILE B 62 4.387 -7.262 -1.260 1.00 31.51 H new ATOM 0 HD11 ILE B 62 2.261 -3.534 -0.893 1.00 34.54 H new ATOM 0 HD12 ILE B 62 3.851 -3.327 -0.120 1.00 34.54 H new ATOM 0 HD13 ILE B 62 3.704 -4.290 -1.609 1.00 34.54 H new ATOM 2020 N LEU B 63 6.083 -7.670 2.636 1.00 21.44 N ATOM 2021 CA LEU B 63 7.321 -8.395 3.026 1.00 62.35 C ATOM 2022 C LEU B 63 7.021 -9.737 3.735 1.00 61.25 C ATOM 2023 O LEU B 63 7.779 -10.702 3.594 1.00 71.21 O ATOM 2024 CB LEU B 63 8.194 -7.492 3.936 1.00 61.33 C ATOM 2025 CG LEU B 63 8.710 -6.172 3.284 1.00 31.33 C ATOM 2026 CD1 LEU B 63 9.556 -5.343 4.282 1.00 22.01 C ATOM 2027 CD2 LEU B 63 9.481 -6.464 1.975 1.00 73.31 C ATOM 0 H LEU B 63 5.989 -6.759 3.084 1.00 21.44 H new ATOM 0 HA LEU B 63 7.863 -8.632 2.111 1.00 62.35 H new ATOM 0 HB2 LEU B 63 7.616 -7.235 4.824 1.00 61.33 H new ATOM 0 HB3 LEU B 63 9.055 -8.070 4.272 1.00 61.33 H new ATOM 0 HG LEU B 63 7.843 -5.565 3.022 1.00 31.33 H new ATOM 0 HD11 LEU B 63 9.900 -4.430 3.796 1.00 22.01 H new ATOM 0 HD12 LEU B 63 8.947 -5.086 5.149 1.00 22.01 H new ATOM 0 HD13 LEU B 63 10.417 -5.929 4.604 1.00 22.01 H new ATOM 0 HD21 LEU B 63 9.830 -5.527 1.541 1.00 73.31 H new ATOM 0 HD22 LEU B 63 10.336 -7.104 2.192 1.00 73.31 H new ATOM 0 HD23 LEU B 63 8.821 -6.967 1.269 1.00 73.31 H new ATOM 2039 N ASP B 64 5.908 -9.774 4.492 1.00 12.41 N ATOM 2040 CA ASP B 64 5.405 -10.998 5.159 1.00 51.40 C ATOM 2041 C ASP B 64 5.082 -12.102 4.115 1.00 25.21 C ATOM 2042 O ASP B 64 5.361 -13.283 4.330 1.00 60.11 O ATOM 2043 CB ASP B 64 4.147 -10.637 5.997 1.00 1.41 C ATOM 2044 CG ASP B 64 3.619 -11.789 6.867 1.00 72.53 C ATOM 2045 OD1 ASP B 64 4.089 -11.941 8.014 1.00 23.41 O ATOM 2046 OD2 ASP B 64 2.721 -12.539 6.416 1.00 4.31 O ATOM 0 H ASP B 64 5.327 -8.953 4.661 1.00 12.41 H new ATOM 0 HA ASP B 64 6.175 -11.393 5.821 1.00 51.40 H new ATOM 0 HB2 ASP B 64 4.383 -9.789 6.640 1.00 1.41 H new ATOM 0 HB3 ASP B 64 3.355 -10.314 5.322 1.00 1.41 H new ATOM 2051 N LEU B 65 4.506 -11.682 2.975 1.00 72.13 N ATOM 2052 CA LEU B 65 4.119 -12.588 1.868 1.00 65.45 C ATOM 2053 C LEU B 65 5.325 -12.926 0.951 1.00 43.32 C ATOM 2054 O LEU B 65 5.435 -14.045 0.437 1.00 20.14 O ATOM 2055 CB LEU B 65 2.997 -11.920 1.033 1.00 3.41 C ATOM 2056 CG LEU B 65 1.783 -11.361 1.836 1.00 53.22 C ATOM 2057 CD1 LEU B 65 0.739 -10.725 0.899 1.00 3.33 C ATOM 2058 CD2 LEU B 65 1.149 -12.441 2.745 1.00 15.44 C ATOM 0 H LEU B 65 4.293 -10.702 2.790 1.00 72.13 H new ATOM 0 HA LEU B 65 3.763 -13.523 2.301 1.00 65.45 H new ATOM 0 HB2 LEU B 65 3.436 -11.102 0.461 1.00 3.41 H new ATOM 0 HB3 LEU B 65 2.625 -12.649 0.313 1.00 3.41 H new ATOM 0 HG LEU B 65 2.160 -10.575 2.490 1.00 53.22 H new ATOM 0 HD11 LEU B 65 -0.095 -10.345 1.489 1.00 3.33 H new ATOM 0 HD12 LEU B 65 1.197 -9.904 0.347 1.00 3.33 H new ATOM 0 HD13 LEU B 65 0.375 -11.475 0.197 1.00 3.33 H new ATOM 0 HD21 LEU B 65 0.307 -12.011 3.287 1.00 15.44 H new ATOM 0 HD22 LEU B 65 0.800 -13.273 2.133 1.00 15.44 H new ATOM 0 HD23 LEU B 65 1.893 -12.801 3.456 1.00 15.44 H new ATOM 2070 N GLN B 66 6.206 -11.925 0.752 1.00 63.14 N ATOM 2071 CA GLN B 66 7.393 -12.023 -0.137 1.00 12.30 C ATOM 2072 C GLN B 66 8.481 -12.956 0.446 1.00 74.25 C ATOM 2073 O GLN B 66 9.128 -13.683 -0.309 1.00 44.12 O ATOM 2074 CB GLN B 66 8.005 -10.609 -0.404 1.00 44.22 C ATOM 2075 CG GLN B 66 7.123 -9.640 -1.237 1.00 23.34 C ATOM 2076 CD GLN B 66 6.998 -9.990 -2.736 1.00 71.54 C ATOM 2077 OE1 GLN B 66 7.053 -11.145 -3.141 1.00 13.21 O ATOM 2078 NE2 GLN B 66 6.815 -8.984 -3.577 1.00 20.15 N ATOM 0 H GLN B 66 6.117 -11.016 1.205 1.00 63.14 H new ATOM 0 HA GLN B 66 7.047 -12.452 -1.077 1.00 12.30 H new ATOM 0 HB2 GLN B 66 8.221 -10.140 0.556 1.00 44.22 H new ATOM 0 HB3 GLN B 66 8.958 -10.737 -0.918 1.00 44.22 H new ATOM 0 HG2 GLN B 66 6.124 -9.617 -0.801 1.00 23.34 H new ATOM 0 HG3 GLN B 66 7.533 -8.634 -1.148 1.00 23.34 H new ATOM 0 HE21 GLN B 66 6.771 -8.027 -3.226 1.00 20.15 H new ATOM 0 HE22 GLN B 66 6.718 -9.166 -4.576 1.00 20.15 H new ATOM 2087 N VAL B 67 8.662 -12.905 1.788 1.00 70.14 N ATOM 2088 CA VAL B 67 9.691 -13.684 2.528 1.00 12.34 C ATOM 2089 C VAL B 67 11.128 -13.378 1.992 1.00 65.34 C ATOM 2090 O VAL B 67 11.632 -14.039 1.073 1.00 54.30 O ATOM 2091 CB VAL B 67 9.382 -15.240 2.522 1.00 62.41 C ATOM 2092 CG1 VAL B 67 10.413 -16.036 3.364 1.00 63.52 C ATOM 2093 CG2 VAL B 67 7.929 -15.533 3.003 1.00 71.12 C ATOM 0 H VAL B 67 8.093 -12.316 2.396 1.00 70.14 H new ATOM 0 HA VAL B 67 9.651 -13.362 3.568 1.00 12.34 H new ATOM 0 HB VAL B 67 9.470 -15.578 1.489 1.00 62.41 H new ATOM 0 HG11 VAL B 67 10.166 -17.097 3.334 1.00 63.52 H new ATOM 0 HG12 VAL B 67 11.412 -15.884 2.955 1.00 63.52 H new ATOM 0 HG13 VAL B 67 10.387 -15.687 4.396 1.00 63.52 H new ATOM 0 HG21 VAL B 67 7.750 -16.608 2.987 1.00 71.12 H new ATOM 0 HG22 VAL B 67 7.800 -15.159 4.019 1.00 71.12 H new ATOM 0 HG23 VAL B 67 7.219 -15.037 2.340 1.00 71.12 H new ATOM 2103 N VAL B 68 11.753 -12.329 2.553 1.00 14.11 N ATOM 2104 CA VAL B 68 13.057 -11.795 2.076 1.00 5.34 C ATOM 2105 C VAL B 68 14.249 -12.426 2.870 1.00 50.12 C ATOM 2106 O VAL B 68 14.483 -12.040 4.039 1.00 38.02 O ATOM 2107 CB VAL B 68 13.074 -10.216 2.177 1.00 23.23 C ATOM 2108 CG1 VAL B 68 14.389 -9.618 1.614 1.00 63.52 C ATOM 2109 CG2 VAL B 68 11.827 -9.597 1.486 1.00 73.11 C ATOM 2110 OXT VAL B 68 14.939 -13.317 2.326 1.00 38.02 O ATOM 0 H VAL B 68 11.374 -11.821 3.352 1.00 14.11 H new ATOM 0 HA VAL B 68 13.179 -12.072 1.029 1.00 5.34 H new ATOM 0 HB VAL B 68 13.031 -9.956 3.235 1.00 23.23 H new ATOM 0 HG11 VAL B 68 14.361 -8.532 1.701 1.00 63.52 H new ATOM 0 HG12 VAL B 68 15.236 -10.006 2.179 1.00 63.52 H new ATOM 0 HG13 VAL B 68 14.495 -9.895 0.565 1.00 63.52 H new ATOM 0 HG21 VAL B 68 11.865 -8.511 1.571 1.00 73.11 H new ATOM 0 HG22 VAL B 68 11.817 -9.878 0.433 1.00 73.11 H new ATOM 0 HG23 VAL B 68 10.922 -9.967 1.969 1.00 73.11 H new